(E)-3-ethenyl-3-methylhex-4-en-2-ol

C9H16O — CID 130122551

IUPAC(E)-3-ethenyl-3-methylhex-4-en-2-ol
SMILESC=CC(C)(/C=C/C)C(C)O
InChIInChI=1S/C9H16O/c1-5-7-9(4,6-2)8(3)10/h5-8,10H,2H2,1,3-4H3/b7-5+
InChIKeyHGAYISBSCSCBJN-FNORWQNLSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds3

About (E)-3-ethenyl-3-methylhex-4-en-2-ol

(E)-3-ethenyl-3-methylhex-4-en-2-ol (PubChem CID 130122551) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-3-ethenyl-3-methylhex-4-en-2-ol.

Molecular Properties

Compound Name(E)-3-ethenyl-3-methylhex-4-en-2-ol
PubChem CID130122551
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(E)-3-ethenyl-3-methylhex-4-en-2-ol
SMILESC=CC(C)(/C=C/C)C(C)O
InChIInChI=1S/C9H16O/c1-5-7-9(4,6-2)8(3)10/h5-8,10H,2H2,1,3-4H3/b7-5+
InChIKeyHGAYISBSCSCBJN-FNORWQNLSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.14
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

3,3-dimethylhex-4-en-2-ol
CID 85445269
(E)-3,3-dimethylhex-4-en-2-ol
CID 12835180
2-methyl-2-[(E)-prop-1-enyl]butane-1,3-diol
CID 141407064
(Z)-but-2-ene;but-3-en-2-ol;ethane;ethene;prop-1-ene
CID 143333255
3-ethylhex-4-ene-2,3-diol
CID 54338436
(5E)-3-methylhepta-1,5-diene-3,4-diol
CID 130121996
(Z)-2,2-dimethylpent-3-enenitrile
CID 154451145
(Z)-but-2-ene;ethane;ethene;2-methylpropane;prop-1-ene
CID 171506340
(E)-3-(aminomethyl)-3-methylhept-5-en-2-ol
CID 130514852
2-(ethylamino)-3-methylhex-5-en-2-ol
CID 174655406
(3R)-3-[(1R)-1-hydroxyethyl]-3-methylhex-5-en-2-one
CID 131227901
(E)-4,4-dimethylpent-2-ene
CID 159305896

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenyl-3-methylhex-4-en-2-ol?
The IUPAC name of (E)-3-ethenyl-3-methylhex-4-en-2-ol (CID 130122551) is (E)-3-ethenyl-3-methylhex-4-en-2-ol.
What is the SMILES notation for (E)-3-ethenyl-3-methylhex-4-en-2-ol?
The canonical SMILES for (E)-3-ethenyl-3-methylhex-4-en-2-ol is C=CC(C)(/C=C/C)C(C)O.
What is the InChIKey of (E)-3-ethenyl-3-methylhex-4-en-2-ol?
The InChIKey is HGAYISBSCSCBJN-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16O/c1-5-7-9(4,6-2)8(3)10/h5-8,10H,2H2,1,3-4H3/b7-5+.
What are the key properties of (E)-3-ethenyl-3-methylhex-4-en-2-ol?
(E)-3-ethenyl-3-methylhex-4-en-2-ol has a molecular weight of 140.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenyl-3-methylhex-4-en-2-ol is sourced from PubChem (CID 130122551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).