1-benzyl-2,5-dibutylphospholane

C19H31P — CID 140639792

IUPAC1-benzyl-2,5-dibutylphospholane
SMILESCCCCC1CCC(CCCC)P1Cc1ccccc1
InChIInChI=1S/C19H31P/c1-3-5-12-18-14-15-19(13-6-4-2)20(18)16-17-10-8-7-9-11-17/h7-11,18-19H,3-6,12-16H2,1-2H3
InChIKeyBKFAATDCTFTYDI-UHFFFAOYSA-N
MW290.43 g/mol
LogP6.58
Rot. Bonds8

About 1-benzyl-2,5-dibutylphospholane

1-benzyl-2,5-dibutylphospholane (PubChem CID 140639792) has the molecular formula C19H31P and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-benzyl-2,5-dibutylphospholane.

Molecular Properties

Compound Name1-benzyl-2,5-dibutylphospholane
PubChem CID140639792
Molecular FormulaC19H31P
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name1-benzyl-2,5-dibutylphospholane
SMILESCCCCC1CCC(CCCC)P1Cc1ccccc1
InChIInChI=1S/C19H31P/c1-3-5-12-18-14-15-19(13-6-4-2)20(18)16-17-10-8-7-9-11-17/h7-11,18-19H,3-6,12-16H2,1-2H3
InChIKeyBKFAATDCTFTYDI-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 56.58
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

2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
(3S,4S)-3,4-dibutyl-1-phenylphospholane
CID 102356014
[2-(4-butylcyclohexyl)-2-chloroethyl]benzene
CID 63544761
N,N-dibenzyl-2-butylcyclopropan-1-amine
CID 86030986
hexakis(decane);ethylbenzene
CID 173398562
butylcyclohexane;ethene;prop-2-enylbenzene
CID 174813579
1-benzyl-4-butylpyrazolidine-3,5-dione
CID 21492858
1-benzyl-3-butylpiperazine
CID 19353079
(2-butylcyclopentyl)benzene
CID 20616758
2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
CID 159605678
butylbenzene;propylbenzene
CID 142022125
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dibutylphospholane?
The IUPAC name of 1-benzyl-2,5-dibutylphospholane (CID 140639792) is 1-benzyl-2,5-dibutylphospholane.
What is the SMILES notation for 1-benzyl-2,5-dibutylphospholane?
The canonical SMILES for 1-benzyl-2,5-dibutylphospholane is CCCCC1CCC(CCCC)P1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dibutylphospholane?
The InChIKey is BKFAATDCTFTYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31P/c1-3-5-12-18-14-15-19(13-6-4-2)20(18)16-17-10-8-7-9-11-17/h7-11,18-19H,3-6,12-16H2,1-2H3.
What are the key properties of 1-benzyl-2,5-dibutylphospholane?
1-benzyl-2,5-dibutylphospholane has a molecular weight of 290.43 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dibutylphospholane is sourced from PubChem (CID 140639792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).