(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol

C10H16O2 — CID 89451383

IUPAC(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol
SMILESC=C(/C=C\C(=C/C)CCO)OC
InChIInChI=1S/C10H16O2/c1-4-10(7-8-11)6-5-9(2)12-3/h4-6,11H,2,7-8H2,1,3H3/b6-5-,10-4+
InChIKeyODMJPVOZZSCPDR-QYONPMAVSA-N
MW168.24 g/mol
LogP2.03
Rot. Bonds5

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

(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol (PubChem CID 89451383) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol
PubChem CID89451383
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol
SMILESC=C(/C=C\C(=C/C)CCO)OC
InChIInChI=1S/C10H16O2/c1-4-10(7-8-11)6-5-9(2)12-3/h4-6,11H,2,7-8H2,1,3H3/b6-5-,10-4+
InChIKeyODMJPVOZZSCPDR-QYONPMAVSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol?
The IUPAC name of (3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol (CID 89451383) is (3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol.
What is the SMILES notation for (3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol?
The canonical SMILES for (3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol is C=C(/C=C\C(=C/C)CCO)OC.
What is the InChIKey of (3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol?
The InChIKey is ODMJPVOZZSCPDR-QYONPMAVSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-10(7-8-11)6-5-9(2)12-3/h4-6,11H,2,7-8H2,1,3H3/b6-5-,10-4+.
What are the key properties of (3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol?
(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol has a molecular weight of 168.24 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dien-1-ol is sourced from PubChem (CID 89451383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).