cyclopenta-2,4-dien-1-yl(diheptyl)phosphane

C19H35P — CID 141347867

IUPACcyclopenta-2,4-dien-1-yl(diheptyl)phosphane
SMILESCCCCCCCP(CCCCCCC)C1C=CC=C1
InChIInChI=1S/C19H35P/c1-3-5-7-9-13-17-20(19-15-11-12-16-19)18-14-10-8-6-4-2/h11-12,15-16,19H,3-10,13-14,17-18H2,1-2H3
InChIKeyANFKIMOKTDNKFQ-UHFFFAOYSA-N
MW294.46 g/mol
LogP6.90
Rot. Bonds13

About cyclopenta-2,4-dien-1-yl(diheptyl)phosphane

cyclopenta-2,4-dien-1-yl(diheptyl)phosphane (PubChem CID 141347867) has the molecular formula C19H35P and a molecular weight of 294.46 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(diheptyl)phosphane.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl(diheptyl)phosphane
PubChem CID141347867
Molecular FormulaC19H35P
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Namecyclopenta-2,4-dien-1-yl(diheptyl)phosphane
SMILESCCCCCCCP(CCCCCCC)C1C=CC=C1
InChIInChI=1S/C19H35P/c1-3-5-7-9-13-17-20(19-15-11-12-16-19)18-14-10-8-6-4-2/h11-12,15-16,19H,3-10,13-14,17-18H2,1-2H3
InChIKeyANFKIMOKTDNKFQ-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 56.90
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'}

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Related Compounds

bromomethane;trioctylphosphane
CID 175266178
octacosane;sulfane
CID 157204687
cyclohexyl(diheptyl)phosphane
CID 118892787
5-undecylcyclopenta-1,3-diene
CID 141280590
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
5-[(E)-non-1-enyl]cyclopenta-1,3-diene
CID 15399897
cyclohexyl-ethyl-octylphosphane
CID 90109221
1-cyclopenta-2,4-dien-1-ylhexadecane-1-thiol
CID 154732372
heptyl(dimethyl)phosphane
CID 18386855
methyl-di(tetradecyl)phosphane
CID 89485367
dodecane;trioctylphosphane;dihydrobromide
CID 173344161

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl(diheptyl)phosphane?
The IUPAC name of cyclopenta-2,4-dien-1-yl(diheptyl)phosphane (CID 141347867) is cyclopenta-2,4-dien-1-yl(diheptyl)phosphane.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl(diheptyl)phosphane?
The canonical SMILES for cyclopenta-2,4-dien-1-yl(diheptyl)phosphane is CCCCCCCP(CCCCCCC)C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl(diheptyl)phosphane?
The InChIKey is ANFKIMOKTDNKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35P/c1-3-5-7-9-13-17-20(19-15-11-12-16-19)18-14-10-8-6-4-2/h11-12,15-16,19H,3-10,13-14,17-18H2,1-2H3.
What are the key properties of cyclopenta-2,4-dien-1-yl(diheptyl)phosphane?
cyclopenta-2,4-dien-1-yl(diheptyl)phosphane has a molecular weight of 294.46 g/mol, XLogP of 6.90, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl(diheptyl)phosphane is sourced from PubChem (CID 141347867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).