(E)-6-methylhept-2-en-4-ol

C8H16O — CID 6506618

IUPAC(E)-6-methylhept-2-en-4-ol
SMILESC/C=C/C(O)CC(C)C
InChIInChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h4-5,7-9H,6H2,1-3H3/b5-4+
InChIKeyRQAFKZOPSRTJDU-SNAWJCMRSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds3

About (E)-6-methylhept-2-en-4-ol

(E)-6-methylhept-2-en-4-ol (PubChem CID 6506618) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E)-6-methylhept-2-en-4-ol.

Molecular Properties

Compound Name(E)-6-methylhept-2-en-4-ol
PubChem CID6506618
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E)-6-methylhept-2-en-4-ol
SMILESC/C=C/C(O)CC(C)C
InChIInChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h4-5,7-9H,6H2,1-3H3/b5-4+
InChIKeyRQAFKZOPSRTJDU-SNAWJCMRSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (E)-6-methylhept-2-en-4-ol?
The IUPAC name of (E)-6-methylhept-2-en-4-ol (CID 6506618) is (E)-6-methylhept-2-en-4-ol.
What is the SMILES notation for (E)-6-methylhept-2-en-4-ol?
The canonical SMILES for (E)-6-methylhept-2-en-4-ol is C/C=C/C(O)CC(C)C.
What is the InChIKey of (E)-6-methylhept-2-en-4-ol?
The InChIKey is RQAFKZOPSRTJDU-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h4-5,7-9H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-6-methylhept-2-en-4-ol?
(E)-6-methylhept-2-en-4-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methylhept-2-en-4-ol is sourced from PubChem (CID 6506618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).