2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane

C13H23P — CID 11986560

IUPAC2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane
SMILESCC(C)P(CCC1C=CC=C1)C(C)C
InChIInChI=1S/C13H23P/c1-11(2)14(12(3)4)10-9-13-7-5-6-8-13/h5-8,11-13H,9-10H2,1-4H3
InChIKeyYGTHPKYMKYJRNO-UHFFFAOYSA-N
MW210.30 g/mol
LogP4.42
Rot. Bonds5

About 2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane

2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane (PubChem CID 11986560) has the molecular formula C13H23P and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane
PubChem CID11986560
Molecular FormulaC13H23P
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane
SMILESCC(C)P(CCC1C=CC=C1)C(C)C
InChIInChI=1S/C13H23P/c1-11(2)14(12(3)4)10-9-13-7-5-6-8-13/h5-8,11-13H,9-10H2,1-4H3
InChIKeyYGTHPKYMKYJRNO-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene
CID 12685415
5-(4-methylpentyl)cyclopenta-1,3-diene
CID 157130017
N-(2-cyclopenta-2,4-dien-1-ylethyl)propan-2-amine
CID 15775951
bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium
CID 11061444
bis(2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane);bis(rhodium)
CID 10952707
2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine
CID 101371214
5-(3,3-dimethylbutyl)cyclopenta-1,3-diene
CID 140816733
2-cyclopenta-2,4-dien-1-ylethanamine
CID 533898
5-(5-cyclopenta-2,4-dien-1-yl-2,4-dimethylpentyl)cyclopenta-1,3-diene;nickel
CID 174412301
5-undecylcyclopenta-1,3-diene
CID 141280590
16-cyclopenta-2,4-dien-1-ylhexadecane-1-thiol
CID 101474090
5-ethylcyclopenta-1,3-diene;hafnium
CID 174248869

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane (CID 11986560) is 2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane is CC(C)P(CCC1C=CC=C1)C(C)C.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane?
The InChIKey is YGTHPKYMKYJRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23P/c1-11(2)14(12(3)4)10-9-13-7-5-6-8-13/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane?
2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane has a molecular weight of 210.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 11986560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).