3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol

C12H22O — CID 23384876

IUPAC3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol
SMILESC=CCC(CC=C)(CCO)C(C)C
InChIInChI=1S/C12H22O/c1-5-7-12(8-6-2,9-10-13)11(3)4/h5-6,11,13H,1-2,7-10H2,3-4H3
InChIKeyCUKZNWVEUDQAOD-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.16
Rot. Bonds7

About 3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol

3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol (PubChem CID 23384876) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol.

Molecular Properties

Compound Name3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol
PubChem CID23384876
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol
SMILESC=CCC(CC=C)(CCO)C(C)C
InChIInChI=1S/C12H22O/c1-5-7-12(8-6-2,9-10-13)11(3)4/h5-6,11,13H,1-2,7-10H2,3-4H3
InChIKeyCUKZNWVEUDQAOD-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.16
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

6-Methyl-3-cyclohexene-1,1-dimethanol
CID 138997
2,2-Dimethylhex-5-en-1-ol
CID 10240821
6-Hepten-1-ol, 2-methyl-
CID 565262
2,2,4-Trimethylpent-4-en-1-ol
CID 543901
3-Methyl-6-hepten-1-ol
CID 543353
2-Ethylhex-5-en-1-ol
CID 10510876
4,4-Dimethyl-5-hexen-1-ol
CID 12511056
(1,5,5-Trimethylcyclopent-2-en-1-yl)methanol
CID 44195647
(2R)-2-propylpent-4-en-1-ol
CID 102443891
2-Ethyl-2-methylpent-4-en-1-ol
CID 126972063
(4S)-4-Methylhex-5-en-1-ol
CID 13119644
(2R)-2-ethylhex-5-en-1-ol
CID 11094637

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol?
The IUPAC name of 3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol (CID 23384876) is 3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol.
What is the SMILES notation for 3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol?
The canonical SMILES for 3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol is C=CCC(CC=C)(CCO)C(C)C.
What is the InChIKey of 3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol?
The InChIKey is CUKZNWVEUDQAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-7-12(8-6-2,9-10-13)11(3)4/h5-6,11,13H,1-2,7-10H2,3-4H3.
What are the key properties of 3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol?
3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-prop-2-enylhex-5-en-1-ol is sourced from PubChem (CID 23384876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).