butyl-di(hexan-2-yl)phosphane

C16H35P — CID 22497719

IUPACbutyl-di(hexan-2-yl)phosphane
SMILESCCCCC(C)P(CCCC)C(C)CCCC
InChIInChI=1S/C16H35P/c1-6-9-12-15(4)17(14-11-8-3)16(5)13-10-7-2/h15-16H,6-14H2,1-5H3
InChIKeyLWQFACWEKHDRLT-UHFFFAOYSA-N
MW258.43 g/mol
LogP6.43
Rot. Bonds11

About butyl-di(hexan-2-yl)phosphane

butyl-di(hexan-2-yl)phosphane (PubChem CID 22497719) has the molecular formula C16H35P and a molecular weight of 258.43 g/mol. Its IUPAC name is butyl-di(hexan-2-yl)phosphane.

Molecular Properties

Compound Namebutyl-di(hexan-2-yl)phosphane
PubChem CID22497719
Molecular FormulaC16H35P
Molecular Weight258.43 g/mol
Exact Mass258.25
IUPAC Namebutyl-di(hexan-2-yl)phosphane
SMILESCCCCC(C)P(CCCC)C(C)CCCC
InChIInChI=1S/C16H35P/c1-6-9-12-15(4)17(14-11-8-3)16(5)13-10-7-2/h15-16H,6-14H2,1-5H3
InChIKeyLWQFACWEKHDRLT-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.43
LogP ≤ 56.43
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

(R)-hexan-2-yl-methyl-propylphosphane
CID 88871089
butan-2-yl-heptan-3-yl-octylphosphane
CID 144962295
triethyl(hexan-2-yl)azanium
CID 88691011
tris(decan-2-yl)phosphane
CID 90108783
tetrabutylphosphanium;tin(4+)
CID 160650774
tributyl(methyl)phosphanium
CID 2760115
azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dodecyl-dihydroxy-tetradecan-2-ylazanium
CID 54272236
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
dibutyl-ethyl-methylphosphanium
CID 58444360

Frequently Asked Questions

What is the IUPAC name of butyl-di(hexan-2-yl)phosphane?
The IUPAC name of butyl-di(hexan-2-yl)phosphane (CID 22497719) is butyl-di(hexan-2-yl)phosphane.
What is the SMILES notation for butyl-di(hexan-2-yl)phosphane?
The canonical SMILES for butyl-di(hexan-2-yl)phosphane is CCCCC(C)P(CCCC)C(C)CCCC.
What is the InChIKey of butyl-di(hexan-2-yl)phosphane?
The InChIKey is LWQFACWEKHDRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35P/c1-6-9-12-15(4)17(14-11-8-3)16(5)13-10-7-2/h15-16H,6-14H2,1-5H3.
What are the key properties of butyl-di(hexan-2-yl)phosphane?
butyl-di(hexan-2-yl)phosphane has a molecular weight of 258.43 g/mol, XLogP of 6.43, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-di(hexan-2-yl)phosphane is sourced from PubChem (CID 22497719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).