(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol

C11H18O — CID 88961692

IUPAC(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol
SMILESC=C/C(C)=C\C(=C/CC)CCO
InChIInChI=1S/C11H18O/c1-4-6-11(7-8-12)9-10(3)5-2/h5-6,9,12H,2,4,7-8H2,1,3H3/b10-9-,11-6-
InChIKeyYXXWOIHOJHUFFL-JTZIFJBISA-N
MW166.26 g/mol
LogP2.84
Rot. Bonds5

About (3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol

(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol (PubChem CID 88961692) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol
PubChem CID88961692
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol
SMILESC=C/C(C)=C\C(=C/CC)CCO
InChIInChI=1S/C11H18O/c1-4-6-11(7-8-12)9-10(3)5-2/h5-6,9,12H,2,4,7-8H2,1,3H3/b10-9-,11-6-
InChIKeyYXXWOIHOJHUFFL-JTZIFJBISA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol?
The IUPAC name of (3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol (CID 88961692) is (3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol.
What is the SMILES notation for (3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol?
The canonical SMILES for (3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol is C=C/C(C)=C\C(=C/CC)CCO.
What is the InChIKey of (3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol?
The InChIKey is YXXWOIHOJHUFFL-JTZIFJBISA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-11(7-8-12)9-10(3)5-2/h5-6,9,12H,2,4,7-8H2,1,3H3/b10-9-,11-6-.
What are the key properties of (3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol?
(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dien-1-ol is sourced from PubChem (CID 88961692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).