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

C13H23P — CID 157457029

IUPACdibutyl(cyclopenta-1,3-dien-1-yl)phosphane
SMILESCCCCP(CCCC)C1=CC=CC1
InChIInChI=1S/C13H23P/c1-3-5-11-14(12-6-4-2)13-9-7-8-10-13/h7-9H,3-6,10-12H2,1-2H3
InChIKeyKGDAVTSGHZFIBV-UHFFFAOYSA-N
MW210.30 g/mol
LogP4.91
Rot. Bonds7

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

dibutyl(cyclopenta-1,3-dien-1-yl)phosphane (PubChem CID 157457029) has the molecular formula C13H23P and a molecular weight of 210.30 g/mol. Its IUPAC name is dibutyl(cyclopenta-1,3-dien-1-yl)phosphane.

Molecular Properties

Compound Namedibutyl(cyclopenta-1,3-dien-1-yl)phosphane
PubChem CID157457029
Molecular FormulaC13H23P
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Namedibutyl(cyclopenta-1,3-dien-1-yl)phosphane
SMILESCCCCP(CCCC)C1=CC=CC1
InChIInChI=1S/C13H23P/c1-3-5-11-14(12-6-4-2)13-9-7-8-10-13/h7-9H,3-6,10-12H2,1-2H3
InChIKeyKGDAVTSGHZFIBV-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 54.91
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

N-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]-N-ethylethanamine
CID 169488035
dibutyl(1H-inden-2-yl)phosphane
CID 21096004
1-nonoxycyclopenta-1,3-diene
CID 175032458
N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine
CID 12996153
N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 163616597
cyclopenta-1,3-dien-1-ylmethyl-dodecyl-dimethylazanium
CID 44630298
nickel(2+);tributylphosphane
CID 161451777
1-[[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-cyclopenta-1,3-dien-1-ylphosphanyl]phosphanyl]cyclopenta-1,3-diene
CID 101382524
dibutyl-cyclopenta-1,3-dien-1-yl-[dibutyl(cyclopenta-1,3-dien-1-yl)silyl]oxysilane
CID 90312709
2-dodecylcyclohexa-2,4-dien-1-one
CID 67242376
dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane
CID 170552521
1-cyclopenta-1,3-dien-1-yltridecan-1-ol
CID 23569005

Frequently Asked Questions

What is the IUPAC name of dibutyl(cyclopenta-1,3-dien-1-yl)phosphane?
The IUPAC name of dibutyl(cyclopenta-1,3-dien-1-yl)phosphane (CID 157457029) is dibutyl(cyclopenta-1,3-dien-1-yl)phosphane.
What is the SMILES notation for dibutyl(cyclopenta-1,3-dien-1-yl)phosphane?
The canonical SMILES for dibutyl(cyclopenta-1,3-dien-1-yl)phosphane is CCCCP(CCCC)C1=CC=CC1.
What is the InChIKey of dibutyl(cyclopenta-1,3-dien-1-yl)phosphane?
The InChIKey is KGDAVTSGHZFIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23P/c1-3-5-11-14(12-6-4-2)13-9-7-8-10-13/h7-9H,3-6,10-12H2,1-2H3.
What are the key properties of dibutyl(cyclopenta-1,3-dien-1-yl)phosphane?
dibutyl(cyclopenta-1,3-dien-1-yl)phosphane has a molecular weight of 210.30 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(cyclopenta-1,3-dien-1-yl)phosphane is sourced from PubChem (CID 157457029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).