cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane

C11H19P — CID 13404155

IUPACcyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane
SMILESCC(C)P(C1=CC=CC1)C(C)C
InChIInChI=1S/C11H19P/c1-9(2)12(10(3)4)11-7-5-6-8-11/h5-7,9-10H,8H2,1-4H3
InChIKeyOSPDRHWVZGIOJQ-UHFFFAOYSA-N
MW182.25 g/mol
LogP4.13
Rot. Bonds3

About cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane

cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane (PubChem CID 13404155) has the molecular formula C11H19P and a molecular weight of 182.25 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane
PubChem CID13404155
Molecular FormulaC11H19P
Molecular Weight182.25 g/mol
Exact Mass182.12
IUPAC Namecyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane
SMILESCC(C)P(C1=CC=CC1)C(C)C
InChIInChI=1S/C11H19P/c1-9(2)12(10(3)4)11-7-5-6-8-11/h5-7,9-10H,8H2,1-4H3
InChIKeyOSPDRHWVZGIOJQ-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 54.13
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

1,1\'-Bis(diisopropylphosphino)ferrocene
CID 16217330
CID 134888563
CID 134888563
CID 134980907
CID 134980907
Dicyclopentadienylphosphine
CID 15504820
Cyclopenta-1,3-diene;ethene;prop-1-ene
CID 162057660
Ditert-butyl(cyclopenta-1,3-dien-1-yl)phosphane
CID 12024215
9-Tert-butyl-9-phosphabicyclo[4.2.1]nona-2,4,7-triene
CID 12844076
1,2-Dimethyl-2,5-dihydrophosphole
CID 13214995
1-Propan-2-yl-2,3,6,7-tetrahydrophosphepine
CID 101846594
CID 134873444
CID 134873444
CID 134888507
CID 134888507
CID 134888591
CID 134888591

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane (CID 13404155) is cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane is CC(C)P(C1=CC=CC1)C(C)C.
What is the InChIKey of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane?
The InChIKey is OSPDRHWVZGIOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19P/c1-9(2)12(10(3)4)11-7-5-6-8-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane?
cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane has a molecular weight of 182.25 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-di(propan-2-yl)phosphane is sourced from PubChem (CID 13404155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).