[(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane

C16H31P — CID 145156666

IUPAC[(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane
SMILESC/C=C\C(=C/CCCP(C(C)C)C(C)C)CC
InChIInChI=1S/C16H31P/c1-7-11-16(8-2)12-9-10-13-17(14(3)4)15(5)6/h7,11-12,14-15H,8-10,13H2,1-6H3/b11-7-,16-12-
InChIKeyWXHLMEJHHLIPBH-WDEMQKFBSA-N
MW254.40 g/mol
LogP5.98
Rot. Bonds8

About [(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane

[(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane (PubChem CID 145156666) has the molecular formula C16H31P and a molecular weight of 254.40 g/mol. Its IUPAC name is [(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane
PubChem CID145156666
Molecular FormulaC16H31P
Molecular Weight254.40 g/mol
Exact Mass254.22
IUPAC Name[(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane
SMILESC/C=C\C(=C/CCCP(C(C)C)C(C)C)CC
InChIInChI=1S/C16H31P/c1-7-11-16(8-2)12-9-10-13-17(14(3)4)15(5)6/h7,11-12,14-15H,8-10,13H2,1-6H3/b11-7-,16-12-
InChIKeyWXHLMEJHHLIPBH-WDEMQKFBSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
(E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine
CID 167054531
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium
CID 11061444
(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine
CID 144719096
(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene
CID 143683617
4-methylnona-2,4-diene
CID 123785331
(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
5-ethyltetradeca-4,6-diene
CID 91339198
(1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride
CID 123215534
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
CID 129172048
(Z,4Z)-4-ethylidene-7-methyloct-2-ene
CID 142183675

Frequently Asked Questions

What is the IUPAC name of [(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane?
The IUPAC name of [(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane (CID 145156666) is [(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane.
What is the SMILES notation for [(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane?
The canonical SMILES for [(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane is C/C=C\C(=C/CCCP(C(C)C)C(C)C)CC.
What is the InChIKey of [(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane?
The InChIKey is WXHLMEJHHLIPBH-WDEMQKFBSA-N. The full InChI is InChI=1S/C16H31P/c1-7-11-16(8-2)12-9-10-13-17(14(3)4)15(5)6/h7,11-12,14-15H,8-10,13H2,1-6H3/b11-7-,16-12-.
What are the key properties of [(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane?
[(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane has a molecular weight of 254.40 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,6Z)-5-ethylocta-4,6-dienyl]-di(propan-2-yl)phosphane is sourced from PubChem (CID 145156666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).