hexa-2,4-dienyl(propan-2-yl)phosphane

C9H17P — CID 141408930

IUPAChexa-2,4-dienyl(propan-2-yl)phosphane
SMILESCC=CC=CCPC(C)C
InChIInChI=1S/C9H17P/c1-4-5-6-7-8-10-9(2)3/h4-7,9-10H,8H2,1-3H3
InChIKeyIJTPNGZTEHWHAR-UHFFFAOYSA-N
MW156.21 g/mol
LogP3.21
Rot. Bonds4

About hexa-2,4-dienyl(propan-2-yl)phosphane

hexa-2,4-dienyl(propan-2-yl)phosphane (PubChem CID 141408930) has the molecular formula C9H17P and a molecular weight of 156.21 g/mol. Its IUPAC name is hexa-2,4-dienyl(propan-2-yl)phosphane.

Molecular Properties

Compound Namehexa-2,4-dienyl(propan-2-yl)phosphane
PubChem CID141408930
Molecular FormulaC9H17P
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Namehexa-2,4-dienyl(propan-2-yl)phosphane
SMILESCC=CC=CCPC(C)C
InChIInChI=1S/C9H17P/c1-4-5-6-7-8-10-9(2)3/h4-7,9-10H,8H2,1-3H3
InChIKeyIJTPNGZTEHWHAR-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-methylocta-2,4-diene
CID 519923
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
(5Z,7Z)-3-methylnona-1,5,7-triene
CID 142930221
(4E)-hexa-2,4-diene
CID 22435466
dichloropalladium;hexa-2,4-dienyl-di(propan-2-yl)phosphane
CID 174766996
4-methyldodeca-1,6,8,10-tetraene
CID 123717396
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
(2E,4E)-N,N-dimethylhexa-2,4-dien-1-amine
CID 12628261
(2E,4E)-7-bromohepta-2,4-diene
CID 12853153
(2Z,4Z)-7-propyldeca-2,4-diene
CID 155725646
2-hexa-2,4-dienoxypropanenitrile
CID 20981678

Frequently Asked Questions

What is the IUPAC name of hexa-2,4-dienyl(propan-2-yl)phosphane?
The IUPAC name of hexa-2,4-dienyl(propan-2-yl)phosphane (CID 141408930) is hexa-2,4-dienyl(propan-2-yl)phosphane.
What is the SMILES notation for hexa-2,4-dienyl(propan-2-yl)phosphane?
The canonical SMILES for hexa-2,4-dienyl(propan-2-yl)phosphane is CC=CC=CCPC(C)C.
What is the InChIKey of hexa-2,4-dienyl(propan-2-yl)phosphane?
The InChIKey is IJTPNGZTEHWHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17P/c1-4-5-6-7-8-10-9(2)3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of hexa-2,4-dienyl(propan-2-yl)phosphane?
hexa-2,4-dienyl(propan-2-yl)phosphane has a molecular weight of 156.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-dienyl(propan-2-yl)phosphane is sourced from PubChem (CID 141408930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).