(2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol

C14H20O — CID 89410828

IUPAC(2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol
SMILESC=CCC(O)(C(=C)/C=C\C)C(=C)/C=C\C
InChIInChI=1S/C14H20O/c1-6-9-12(4)14(15,11-8-3)13(5)10-7-2/h6-10,15H,3-5,11H2,1-2H3/b9-6-,10-7-
InChIKeyWFFIIWWYIARTFO-LFPVQMOXSA-N
MW204.31 g/mol
LogP3.56
Rot. Bonds6

About (2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol

(2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol (PubChem CID 89410828) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol.

Molecular Properties

Compound Name(2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol
PubChem CID89410828
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol
SMILESC=CCC(O)(C(=C)/C=C\C)C(=C)/C=C\C
InChIInChI=1S/C14H20O/c1-6-9-12(4)14(15,11-8-3)13(5)10-7-2/h6-10,15H,3-5,11H2,1-2H3/b9-6-,10-7-
InChIKeyWFFIIWWYIARTFO-LFPVQMOXSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol?
The IUPAC name of (2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol (CID 89410828) is (2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol.
What is the SMILES notation for (2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol?
The canonical SMILES for (2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol is C=CCC(O)(C(=C)/C=C\C)C(=C)/C=C\C.
What is the InChIKey of (2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol?
The InChIKey is WFFIIWWYIARTFO-LFPVQMOXSA-N. The full InChI is InChI=1S/C14H20O/c1-6-9-12(4)14(15,11-8-3)13(5)10-7-2/h6-10,15H,3-5,11H2,1-2H3/b9-6-,10-7-.
What are the key properties of (2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol?
(2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol has a molecular weight of 204.31 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,7Z)-4,6-dimethylidene-5-prop-2-enylnona-2,7-dien-5-ol is sourced from PubChem (CID 89410828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).