CAS
97752-20-0 Purity
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97752-20-0 Purity
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4,5,6,7,7-Pentamethyloctan-3-ol
CAS
97752-24-4
Catalog Number
ACM97752244
Category
Other Products
Molecular Weight
200.360820 [g/mol]
Molecular Formula
C13H28O
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Specification
Synonyms
EINECS 307-786-7, CID113419, 4,5,6,7,7-Pentamethyloctan-3-ol, 97752-24-4
IUPAC Name
4,5,6,7,7-pentamethyloctan-3-ol
Canonical SMILES
CCC(C(C)C(C)C(C)C(C)(C)C)O
InChI Key
QIKQWLYMJZQXFA-UHFFFAOYSA-N
Boiling Point
227.3ºC at 760mmHg
Flash Point
93ºC
Density
0.827g/cm³
EC Number
307-786-7
Exact Mass
200.21400
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of 4,5,6,7,7-Pentamethyloctan-3-ol?
The molecular formula is C13H28O.
When was 4,5,6,7,7-Pentamethyloctan-3-ol created in PubChem?
It was created on August 8, 2005.
What is the InChIKey of 4,5,6,7,7-Pentamethyloctan-3-ol?
The InChIKey is QIKQWLYMJZQXFA-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 4,5,6,7,7-Pentamethyloctan-3-ol have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 4,5,6,7,7-Pentamethyloctan-3-ol?
The topological polar surface area is 20.2 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the molecular weight of 4,5,6,7,7-Pentamethyloctan-3-ol?
The molecular weight is 200.36 g/mol.
How many rotatable bond counts does 4,5,6,7,7-Pentamethyloctan-3-ol have?
It has 5 rotatable bond counts.
What is the exact mass of 4,5,6,7,7-Pentamethyloctan-3-ol?
The exact mass is 200.214015512 g/mol.
How many defined atom stereocenter counts does 4,5,6,7,7-Pentamethyloctan-3-ol have?
It has 0 defined atom stereocenter counts.
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