ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol

C15H28O — CID 143822245

IUPACethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol
SMILESC=C/C(=C\C(=C)C)CCCCCCO.CC
InChIInChI=1S/C13H22O.C2H6/c1-4-13(11-12(2)3)9-7-5-6-8-10-14;1-2/h4,11,14H,1-2,5-10H2,3H3;1-2H3/b13-11+;
InChIKeySIQIHPPMDHAVIT-BNSHTTSQSA-N
MW224.39 g/mol
LogP4.64
Rot. Bonds8

About ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol

ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol (PubChem CID 143822245) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol.

Molecular Properties

Compound Nameethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol
PubChem CID143822245
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Nameethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol
SMILESC=C/C(=C\C(=C)C)CCCCCCO.CC
InChIInChI=1S/C13H22O.C2H6/c1-4-13(11-12(2)3)9-7-5-6-8-10-14;1-2/h4,11,14H,1-2,5-10H2,3H3;1-2H3/b13-11+;
InChIKeySIQIHPPMDHAVIT-BNSHTTSQSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol?
The IUPAC name of ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol (CID 143822245) is ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol.
What is the SMILES notation for ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol?
The canonical SMILES for ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol is C=C/C(=C\C(=C)C)CCCCCCO.CC.
What is the InChIKey of ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol?
The InChIKey is SIQIHPPMDHAVIT-BNSHTTSQSA-N. The full InChI is InChI=1S/C13H22O.C2H6/c1-4-13(11-12(2)3)9-7-5-6-8-10-14;1-2/h4,11,14H,1-2,5-10H2,3H3;1-2H3/b13-11+;.
What are the key properties of ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol?
ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7Z)-7-ethenyl-9-methyldeca-7,9-dien-1-ol is sourced from PubChem (CID 143822245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).