ethyl(undeca-4,7-dienyl)phosphane

C13H25P — CID 91231689

IUPACethyl(undeca-4,7-dienyl)phosphane
SMILESCCCC=CCC=CCCCPCC
InChIInChI=1S/C13H25P/c1-3-5-6-7-8-9-10-11-12-13-14-4-2/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3
InChIKeyOKLKPBDBYDKXNR-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.77
Rot. Bonds9

About ethyl(undeca-4,7-dienyl)phosphane

ethyl(undeca-4,7-dienyl)phosphane (PubChem CID 91231689) has the molecular formula C13H25P and a molecular weight of 212.32 g/mol. Its IUPAC name is ethyl(undeca-4,7-dienyl)phosphane.

Molecular Properties

Compound Nameethyl(undeca-4,7-dienyl)phosphane
PubChem CID91231689
Molecular FormulaC13H25P
Molecular Weight212.32 g/mol
Exact Mass212.17
IUPAC Nameethyl(undeca-4,7-dienyl)phosphane
SMILESCCCC=CCC=CCCCPCC
InChIInChI=1S/C13H25P/c1-3-5-6-7-8-9-10-11-12-13-14-4-2/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3
InChIKeyOKLKPBDBYDKXNR-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
docosa-4,7,11-triene
CID 141035180
1-iododeca-3,6-diene
CID 71329252
methane;(5Z,8Z,11Z,14Z)-nonadeca-5,8,11,14-tetraene
CID 159218033
tricosa-4,19-diene
CID 142680711
hexadeca-4,12-diene
CID 71384995
(4Z,7Z)-12,12-dimethyltrideca-4,7-diene
CID 176739727
heptadeca-5,8,11-triene
CID 54101473
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065

Frequently Asked Questions

What is the IUPAC name of ethyl(undeca-4,7-dienyl)phosphane?
The IUPAC name of ethyl(undeca-4,7-dienyl)phosphane (CID 91231689) is ethyl(undeca-4,7-dienyl)phosphane.
What is the SMILES notation for ethyl(undeca-4,7-dienyl)phosphane?
The canonical SMILES for ethyl(undeca-4,7-dienyl)phosphane is CCCC=CCC=CCCCPCC.
What is the InChIKey of ethyl(undeca-4,7-dienyl)phosphane?
The InChIKey is OKLKPBDBYDKXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25P/c1-3-5-6-7-8-9-10-11-12-13-14-4-2/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3.
What are the key properties of ethyl(undeca-4,7-dienyl)phosphane?
ethyl(undeca-4,7-dienyl)phosphane has a molecular weight of 212.32 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(undeca-4,7-dienyl)phosphane is sourced from PubChem (CID 91231689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).