(3-butan-2-yl-4-methylhexyl)phosphane

C11H25P — CID 167150545

IUPAC(3-butan-2-yl-4-methylhexyl)phosphane
SMILESCCC(C)C(CCP)C(C)CC
InChIInChI=1S/C11H25P/c1-5-9(3)11(7-8-12)10(4)6-2/h9-11H,5-8,12H2,1-4H3
InChIKeyPLJKAZXYNJIXQY-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.96
Rot. Bonds6

About (3-butan-2-yl-4-methylhexyl)phosphane

(3-butan-2-yl-4-methylhexyl)phosphane (PubChem CID 167150545) has the molecular formula C11H25P and a molecular weight of 188.29 g/mol. Its IUPAC name is (3-butan-2-yl-4-methylhexyl)phosphane.

Molecular Properties

Compound Name(3-butan-2-yl-4-methylhexyl)phosphane
PubChem CID167150545
Molecular FormulaC11H25P
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name(3-butan-2-yl-4-methylhexyl)phosphane
SMILESCCC(C)C(CCP)C(C)CC
InChIInChI=1S/C11H25P/c1-5-9(3)11(7-8-12)10(4)6-2/h9-11H,5-8,12H2,1-4H3
InChIKeyPLJKAZXYNJIXQY-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.96
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

(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
2-ethyl-3-methylpentane-1,1-diol
CID 151142103
3-methylbutylphosphane;dihydrochloride
CID 172804723
3-butan-2-yl-4-methylhexane-1,6-disulfonic acid
CID 123492178
3-methylheptan-4-ylphosphane
CID 178108210
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
4-butan-2-yl-5-methylheptane-2-thiol
CID 87156915
(4R)-3-ethyl-4-methylhexane
CID 59954491
CID 91437014
CID 91437014

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yl-4-methylhexyl)phosphane?
The IUPAC name of (3-butan-2-yl-4-methylhexyl)phosphane (CID 167150545) is (3-butan-2-yl-4-methylhexyl)phosphane.
What is the SMILES notation for (3-butan-2-yl-4-methylhexyl)phosphane?
The canonical SMILES for (3-butan-2-yl-4-methylhexyl)phosphane is CCC(C)C(CCP)C(C)CC.
What is the InChIKey of (3-butan-2-yl-4-methylhexyl)phosphane?
The InChIKey is PLJKAZXYNJIXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25P/c1-5-9(3)11(7-8-12)10(4)6-2/h9-11H,5-8,12H2,1-4H3.
What are the key properties of (3-butan-2-yl-4-methylhexyl)phosphane?
(3-butan-2-yl-4-methylhexyl)phosphane has a molecular weight of 188.29 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yl-4-methylhexyl)phosphane is sourced from PubChem (CID 167150545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).