(3Z)-4-methylhepta-3,6-dien-1-ol

C8H14O — CID 14691517

IUPAC(3Z)-4-methylhepta-3,6-dien-1-ol
SMILESC=CC/C(C)=C\CCO
InChIInChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h3,6,9H,1,4-5,7H2,2H3/b8-6-
InChIKeyXJQLONVMGMJKLI-VURMDHGXSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds4

About (3Z)-4-methylhepta-3,6-dien-1-ol

(3Z)-4-methylhepta-3,6-dien-1-ol (PubChem CID 14691517) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3Z)-4-methylhepta-3,6-dien-1-ol.

Molecular Properties

Compound Name(3Z)-4-methylhepta-3,6-dien-1-ol
PubChem CID14691517
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3Z)-4-methylhepta-3,6-dien-1-ol
SMILESC=CC/C(C)=C\CCO
InChIInChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h3,6,9H,1,4-5,7H2,2H3/b8-6-
InChIKeyXJQLONVMGMJKLI-VURMDHGXSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.89
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 (3Z)-4-methylhepta-3,6-dien-1-ol?
The IUPAC name of (3Z)-4-methylhepta-3,6-dien-1-ol (CID 14691517) is (3Z)-4-methylhepta-3,6-dien-1-ol.
What is the SMILES notation for (3Z)-4-methylhepta-3,6-dien-1-ol?
The canonical SMILES for (3Z)-4-methylhepta-3,6-dien-1-ol is C=CC/C(C)=C\CCO.
What is the InChIKey of (3Z)-4-methylhepta-3,6-dien-1-ol?
The InChIKey is XJQLONVMGMJKLI-VURMDHGXSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h3,6,9H,1,4-5,7H2,2H3/b8-6-.
What are the key properties of (3Z)-4-methylhepta-3,6-dien-1-ol?
(3Z)-4-methylhepta-3,6-dien-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methylhepta-3,6-dien-1-ol is sourced from PubChem (CID 14691517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).