CAS
94231-52-4 Purity
96%
94231-52-4 Purity
96%
Shopping basket
Bicyclo[3.1.1]heptane-2-propanol,6,6-dimethyl-a-propyl-
CAS
94231-55-7
Catalog Number
ACM94231557
Category
Other Products
Molecular Weight
224.3822
Molecular Formula
C15H28O
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
EINECS 303-873-9, 6,6-Dimethyl-alpha-propylbicyclo(3.1.1)heptane-2-propanol, 94231-55-7
IUPAC Name
1-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)hexan-3-ol
Canonical SMILES
CCCC(CCC1CCC2CC1C2(C)C)O
InChI Key
KHBHMJKIAFOZKG-UHFFFAOYSA-N
Boiling Point
285.8ºC at 760mmHg
Flash Point
129.1ºC
Density
0.915g/cm³
EC Number
303-873-9
Exact Mass
224.21400
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of Bicyclo[3.1.1]heptane-2-propanol?
The molecular formula is C15H28O.
When was Bicyclo[3.1.1]heptane-2-propanol created?
It was created on August 20, 2009.
What is the IUPAC name of Bicyclo[3.1.1]heptane-2-propanol?
The IUPAC name is 1-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)hexan-3-ol.
What is the Canonical SMILES representation of Bicyclo[3.1.1]heptane-2-propanol?
The Canonical SMILES is CCCC(CCC1CCC2CC1C2(C)C)O.
How many hydrogen bond donor counts does Bicyclo[3.1.1]heptane-2-propanol have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of Bicyclo[3.1.1]heptane-2-propanol?
The XLogP3-AA value is 4.7.
What is the Exact Mass of Bicyclo[3.1.1]heptane-2-propanol?
The Exact Mass is 224.214015512 g/mol.
How many rotatable bond counts does Bicyclo[3.1.1]heptane-2-propanol have?
It has 5 rotatable bond counts.
Is Bicyclo[3.1.1]heptane-2-propanol a canonicalized compound?
Yes, it is a canonicalized compound.
What is the topological polar surface area of Bicyclo[3.1.1]heptane-2-propanol?
The topological polar surface area is 20.2 Ų.
Recommended Products
CAS
94231-53-5 Purity
---
94231-53-5 Purity
---
CAS
94231-54-6 Purity
96%
94231-54-6 Purity
96%
CAS
94231-57-9 Purity
96%
94231-57-9 Purity
96%
CAS
94231-58-0 Purity
96%
94231-58-0 Purity
96%
