CAS
99346-84-6 Purity
---
99346-84-6 Purity
---
Inquiry Basket
1-Pentyn-3-ol,3,4,4-trimethyl-
CAS
993-53-3
Catalog Number
ACM993533
Category
Other Products
Molecular Weight
126.2
Molecular Formula
C8H14O
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
3,4,4-TRIMETHYL-1-PENTYN-3-OL;TIMTEC-BB SBB009022;3,4,4-TRIMETHYL-1-PENTYN-3-OL 98%;3,4,4-trimethylpent-1-yn-3-ol
IUPAC Name
3,4,4-trimethylpent-1-yn-3-ol
Canonical SMILES
CC(C)(C)C(C)(C#C)O
InChI Key
XXWIEGOAVMLISY-UHFFFAOYSA-N
Boiling Point
137.2ºC at 760mmHg
Flash Point
35.6ºC
Density
0.889g/cm³
Exact Mass
126.10400
H-Bond Acceptor
1
H-Bond Donor
1
Packing Group
III
Safety Description
S23-S24/25
What is the molecular formula of 1-Pentyn-3-ol?
The molecular formula of 1-Pentyn-3-ol is C8H14O.
When was the structure of 1-Pentyn-3-ol created and modified?
The structure was created on 2005-03-26 and modified on 2023-12-30.
What is the IUPAC name of 1-Pentyn-3-ol?
The IUPAC name of 1-Pentyn-3-ol is 3,4,4-trimethylpent-1-yn-3-ol.
What is the InChIKey of 1-Pentyn-3-ol?
The InChIKey of 1-Pentyn-3-ol is XXWIEGOAVMLISY-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1-Pentyn-3-ol have?
1-Pentyn-3-ol has 1 hydrogen bond donor count.
What is the exact mass of 1-Pentyn-3-ol?
The exact mass of 1-Pentyn-3-ol is 126.104465066 g/mol.
How many rotatable bond counts does 1-Pentyn-3-ol have?
1-Pentyn-3-ol has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the heavy atom count of 1-Pentyn-3-ol?
The heavy atom count of 1-Pentyn-3-ol is 9.
How many defined bond stereocenter counts does 1-Pentyn-3-ol have?
1-Pentyn-3-ol has 0 defined bond stereocenter counts.
Recommended Products
CAS
99347-10-1 Purity
96%
99347-10-1 Purity
96%
