dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane

C17H27P — CID 67808044

IUPACdicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane
SMILESC1=CCC(P(C2CCCCC2)C2CCCCC2)=C1
InChIInChI=1S/C17H27P/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h7-8,13,15-16H,1-6,9-12,14H2
InChIKeyBECHTKTXCJXOCJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP5.98
Rot. Bonds3

About dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane

dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane (PubChem CID 67808044) has the molecular formula C17H27P and a molecular weight of 262.38 g/mol. Its IUPAC name is dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane.

Molecular Properties

Compound Namedicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane
PubChem CID67808044
Molecular FormulaC17H27P
Molecular Weight262.38 g/mol
Exact Mass262.19
IUPAC Namedicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane
SMILESC1=CCC(P(C2CCCCC2)C2CCCCC2)=C1
InChIInChI=1S/C17H27P/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h7-8,13,15-16H,1-6,9-12,14H2
InChIKeyBECHTKTXCJXOCJ-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane?
The IUPAC name of dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane (CID 67808044) is dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane.
What is the SMILES notation for dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane?
The canonical SMILES for dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane is C1=CCC(P(C2CCCCC2)C2CCCCC2)=C1.
What is the InChIKey of dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane?
The InChIKey is BECHTKTXCJXOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27P/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h7-8,13,15-16H,1-6,9-12,14H2.
What are the key properties of dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane?
dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane has a molecular weight of 262.38 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(cyclopenta-1,3-dien-1-yl)phosphane is sourced from PubChem (CID 67808044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).