(4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol

C11H18O — CID 88860263

IUPAC(4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol
SMILESC=C(O)C(=C)/C=C\C(CC)CC
InChIInChI=1S/C11H18O/c1-5-11(6-2)8-7-9(3)10(4)12/h7-8,11-12H,3-6H2,1-2H3/b8-7-
InChIKeyQXSIFUHSAPXZLQ-FPLPWBNLSA-N
MW166.26 g/mol
LogP3.61
Rot. Bonds5

About (4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol

(4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol (PubChem CID 88860263) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol.

Molecular Properties

Compound Name(4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol
PubChem CID88860263
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol
SMILESC=C(O)C(=C)/C=C\C(CC)CC
InChIInChI=1S/C11H18O/c1-5-11(6-2)8-7-9(3)10(4)12/h7-8,11-12H,3-6H2,1-2H3/b8-7-
InChIKeyQXSIFUHSAPXZLQ-FPLPWBNLSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol?
The IUPAC name of (4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol (CID 88860263) is (4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol.
What is the SMILES notation for (4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol?
The canonical SMILES for (4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol is C=C(O)C(=C)/C=C\C(CC)CC.
What is the InChIKey of (4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol?
The InChIKey is QXSIFUHSAPXZLQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H18O/c1-5-11(6-2)8-7-9(3)10(4)12/h7-8,11-12H,3-6H2,1-2H3/b8-7-.
What are the key properties of (4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol?
(4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol has a molecular weight of 166.26 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-ethyl-3-methylideneocta-1,4-dien-2-ol is sourced from PubChem (CID 88860263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).