(3E)-6-methylhepta-1,3-dien-3-ol

C8H14O — CID 89230926

IUPAC(3E)-6-methylhepta-1,3-dien-3-ol
SMILESC=C/C(O)=C\CC(C)C
InChIInChI=1S/C8H14O/c1-4-8(9)6-5-7(2)3/h4,6-7,9H,1,5H2,2-3H3/b8-6+
InChIKeyPJLWYUCSQHTOCS-SOFGYWHQSA-N
MW126.20 g/mol
LogP2.66
Rot. Bonds3

About (3E)-6-methylhepta-1,3-dien-3-ol

(3E)-6-methylhepta-1,3-dien-3-ol (PubChem CID 89230926) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3E)-6-methylhepta-1,3-dien-3-ol.

Molecular Properties

Compound Name(3E)-6-methylhepta-1,3-dien-3-ol
PubChem CID89230926
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3E)-6-methylhepta-1,3-dien-3-ol
SMILESC=C/C(O)=C\CC(C)C
InChIInChI=1S/C8H14O/c1-4-8(9)6-5-7(2)3/h4,6-7,9H,1,5H2,2-3H3/b8-6+
InChIKeyPJLWYUCSQHTOCS-SOFGYWHQSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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but-1-ene;4-methylpent-1-ene;prop-1-ene
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(4R)-8-methylnon-1-en-4-ol
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CID 19035560
(E)-2,2,3,6-tetramethylhept-3-ene
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butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
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Frequently Asked Questions

What is the IUPAC name of (3E)-6-methylhepta-1,3-dien-3-ol?
The IUPAC name of (3E)-6-methylhepta-1,3-dien-3-ol (CID 89230926) is (3E)-6-methylhepta-1,3-dien-3-ol.
What is the SMILES notation for (3E)-6-methylhepta-1,3-dien-3-ol?
The canonical SMILES for (3E)-6-methylhepta-1,3-dien-3-ol is C=C/C(O)=C\CC(C)C.
What is the InChIKey of (3E)-6-methylhepta-1,3-dien-3-ol?
The InChIKey is PJLWYUCSQHTOCS-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H14O/c1-4-8(9)6-5-7(2)3/h4,6-7,9H,1,5H2,2-3H3/b8-6+.
What are the key properties of (3E)-6-methylhepta-1,3-dien-3-ol?
(3E)-6-methylhepta-1,3-dien-3-ol has a molecular weight of 126.20 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-methylhepta-1,3-dien-3-ol is sourced from PubChem (CID 89230926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).