(3,4-dibutyl-1H-phosphol-2-yl)phosphane

C12H22P2 — CID 173084959

IUPAC(3,4-dibutyl-1H-phosphol-2-yl)phosphane
SMILESCCCCc1c[pH]c(P)c1CCCC
InChIInChI=1S/C12H22P2/c1-3-5-7-10-9-14-12(13)11(10)8-6-4-2/h9,14H,3-8,13H2,1-2H3
InChIKeyHYDUGWVHSWYTEN-UHFFFAOYSA-N
MW228.26 g/mol
LogP3.90
Rot. Bonds6

About (3,4-dibutyl-1H-phosphol-2-yl)phosphane

(3,4-dibutyl-1H-phosphol-2-yl)phosphane (PubChem CID 173084959) has the molecular formula C12H22P2 and a molecular weight of 228.26 g/mol. Its IUPAC name is (3,4-dibutyl-1H-phosphol-2-yl)phosphane.

Molecular Properties

Compound Name(3,4-dibutyl-1H-phosphol-2-yl)phosphane
PubChem CID173084959
Molecular FormulaC12H22P2
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name(3,4-dibutyl-1H-phosphol-2-yl)phosphane
SMILESCCCCc1c[pH]c(P)c1CCCC
InChIInChI=1S/C12H22P2/c1-3-5-7-10-9-14-12(13)11(10)8-6-4-2/h9,14H,3-8,13H2,1-2H3
InChIKeyHYDUGWVHSWYTEN-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 53.90
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

3,4-dibutyl-1H-phosphol-2-amine
CID 91386748
1,2,3,4-tetrabutylbenzene
CID 11220391
(2,3-dibutylphenyl)phosphane
CID 19901991
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952
3,4,5-tributylpyridine
CID 173010708
1,2,3-tributylbenzene;hydrate
CID 172716323
(2,3-dibutylphenyl)methylphosphane
CID 21314355
1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
CID 101311557
2-butyl-1,3,5-trimethylbenzene
CID 527298

Frequently Asked Questions

What is the IUPAC name of (3,4-dibutyl-1H-phosphol-2-yl)phosphane?
The IUPAC name of (3,4-dibutyl-1H-phosphol-2-yl)phosphane (CID 173084959) is (3,4-dibutyl-1H-phosphol-2-yl)phosphane.
What is the SMILES notation for (3,4-dibutyl-1H-phosphol-2-yl)phosphane?
The canonical SMILES for (3,4-dibutyl-1H-phosphol-2-yl)phosphane is CCCCc1c[pH]c(P)c1CCCC.
What is the InChIKey of (3,4-dibutyl-1H-phosphol-2-yl)phosphane?
The InChIKey is HYDUGWVHSWYTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22P2/c1-3-5-7-10-9-14-12(13)11(10)8-6-4-2/h9,14H,3-8,13H2,1-2H3.
What are the key properties of (3,4-dibutyl-1H-phosphol-2-yl)phosphane?
(3,4-dibutyl-1H-phosphol-2-yl)phosphane has a molecular weight of 228.26 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dibutyl-1H-phosphol-2-yl)phosphane is sourced from PubChem (CID 173084959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).