2,2-dimethylhex-5-en-1-ol

C8H16O — CID 10240821

IUPAC2,2-dimethylhex-5-en-1-ol
SMILESC=CCCC(C)(C)CO
InChIInChI=1S/C8H16O/c1-4-5-6-8(2,3)7-9/h4,9H,1,5-7H2,2-3H3
InChIKeyWIYYDFSDWKBPIX-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds4

About 2,2-dimethylhex-5-en-1-ol

2,2-dimethylhex-5-en-1-ol (PubChem CID 10240821) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2,2-dimethylhex-5-en-1-ol.

Molecular Properties

Compound Name2,2-dimethylhex-5-en-1-ol
PubChem CID10240821
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2,2-dimethylhex-5-en-1-ol
SMILESC=CCCC(C)(C)CO
InChIInChI=1S/C8H16O/c1-4-5-6-8(2,3)7-9/h4,9H,1,5-7H2,2-3H3
InChIKeyWIYYDFSDWKBPIX-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-Dimethyl-2-methylene-1-pentanol
CID 78086
2,2-Dimethylpent-4-en-1-ol
CID 10749158
6-Hepten-1-ol, 2-methyl-
CID 565262
2,2-Dimethyl-5-hexen-3-ol
CID 140556
2,2,4-Trimethylpent-4-en-1-ol
CID 543901
[1-(Prop-2-en-1-yl)cyclobutyl]methanol
CID 54238126
(4S)-4-Methylhex-5-en-1-ol
CID 13119644
3-Methyl-6-hepten-1-ol
CID 543353
2-Ethylhex-5-en-1-ol
CID 10510876
(3S)-2,2-dimethylhex-5-en-3-ol
CID 11018892
2-Ethenyl-2,6-dimethylhept-5-en-1-ol
CID 11095037
4,4-Dimethyl-5-hexen-1-ol
CID 12511056

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhex-5-en-1-ol?
The IUPAC name of 2,2-dimethylhex-5-en-1-ol (CID 10240821) is 2,2-dimethylhex-5-en-1-ol.
What is the SMILES notation for 2,2-dimethylhex-5-en-1-ol?
The canonical SMILES for 2,2-dimethylhex-5-en-1-ol is C=CCCC(C)(C)CO.
What is the InChIKey of 2,2-dimethylhex-5-en-1-ol?
The InChIKey is WIYYDFSDWKBPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-8(2,3)7-9/h4,9H,1,5-7H2,2-3H3.
What are the key properties of 2,2-dimethylhex-5-en-1-ol?
2,2-dimethylhex-5-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhex-5-en-1-ol is sourced from PubChem (CID 10240821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).