3-ethenyl-3-methylhex-5-en-2-ol

C9H16O — CID 20501782

IUPAC3-ethenyl-3-methylhex-5-en-2-ol
SMILESC=CCC(C)(C=C)C(C)O
InChIInChI=1S/C9H16O/c1-5-7-9(4,6-2)8(3)10/h5-6,8,10H,1-2,7H2,3-4H3
InChIKeyMEOIMSJKJUSFID-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds4

About 3-ethenyl-3-methylhex-5-en-2-ol

3-ethenyl-3-methylhex-5-en-2-ol (PubChem CID 20501782) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethenyl-3-methylhex-5-en-2-ol.

Molecular Properties

Compound Name3-ethenyl-3-methylhex-5-en-2-ol
PubChem CID20501782
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-ethenyl-3-methylhex-5-en-2-ol
SMILESC=CCC(C)(C=C)C(C)O
InChIInChI=1S/C9H16O/c1-5-7-9(4,6-2)8(3)10/h5-6,8,10H,1-2,7H2,3-4H3
InChIKeyMEOIMSJKJUSFID-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methylhex-5-en-2-ol?
The IUPAC name of 3-ethenyl-3-methylhex-5-en-2-ol (CID 20501782) is 3-ethenyl-3-methylhex-5-en-2-ol.
What is the SMILES notation for 3-ethenyl-3-methylhex-5-en-2-ol?
The canonical SMILES for 3-ethenyl-3-methylhex-5-en-2-ol is C=CCC(C)(C=C)C(C)O.
What is the InChIKey of 3-ethenyl-3-methylhex-5-en-2-ol?
The InChIKey is MEOIMSJKJUSFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-7-9(4,6-2)8(3)10/h5-6,8,10H,1-2,7H2,3-4H3.
What are the key properties of 3-ethenyl-3-methylhex-5-en-2-ol?
3-ethenyl-3-methylhex-5-en-2-ol has a molecular weight of 140.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methylhex-5-en-2-ol is sourced from PubChem (CID 20501782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).