butyl-(3,3-dipropylcyclohexyl)phosphane

C16H33P — CID 173289478

IUPACbutyl-(3,3-dipropylcyclohexyl)phosphane
SMILESCCCCPC1CCCC(CCC)(CCC)C1
InChIInChI=1S/C16H33P/c1-4-7-13-17-15-9-8-12-16(14-15,10-5-2)11-6-3/h15,17H,4-14H2,1-3H3
InChIKeyRNNCNWLOFWKLDD-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.99
Rot. Bonds8

About butyl-(3,3-dipropylcyclohexyl)phosphane

butyl-(3,3-dipropylcyclohexyl)phosphane (PubChem CID 173289478) has the molecular formula C16H33P and a molecular weight of 256.41 g/mol. Its IUPAC name is butyl-(3,3-dipropylcyclohexyl)phosphane.

Molecular Properties

Compound Namebutyl-(3,3-dipropylcyclohexyl)phosphane
PubChem CID173289478
Molecular FormulaC16H33P
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Namebutyl-(3,3-dipropylcyclohexyl)phosphane
SMILESCCCCPC1CCCC(CCC)(CCC)C1
InChIInChI=1S/C16H33P/c1-4-7-13-17-15-9-8-12-16(14-15,10-5-2)11-6-3/h15,17H,4-14H2,1-3H3
InChIKeyRNNCNWLOFWKLDD-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butyl(cyclohexyl)phosphane
CID 69424025
cyclopentyl(decyl)phosphane
CID 69425127
cyclopentyl(pentyl)phosphane;hydrochloride
CID 174737364
cyclobutyl(pentyl)phosphane;hydrochloride
CID 174737405
butyl-[3,3-di(butan-2-yl)cyclohexyl]phosphane;butylphosphane;bis(propan-2-olate);titanium(2+)
CID 173289452
cyclohexyl(dodecyl)phosphane
CID 69424863
cycloheptyl(hexyl)phosphane
CID 69424850
cyclohexyl(decyl)phosphane
CID 69427092
cyclooctyl(nonyl)phosphane
CID 69422737
cyclopropyl(nonyl)phosphane
CID 69425063
cyclopropyl(hexyl)phosphane;hydrochloride
CID 174737397
1-ethyl-1-propylcyclobutane
CID 58586108

Frequently Asked Questions

What is the IUPAC name of butyl-(3,3-dipropylcyclohexyl)phosphane?
The IUPAC name of butyl-(3,3-dipropylcyclohexyl)phosphane (CID 173289478) is butyl-(3,3-dipropylcyclohexyl)phosphane.
What is the SMILES notation for butyl-(3,3-dipropylcyclohexyl)phosphane?
The canonical SMILES for butyl-(3,3-dipropylcyclohexyl)phosphane is CCCCPC1CCCC(CCC)(CCC)C1.
What is the InChIKey of butyl-(3,3-dipropylcyclohexyl)phosphane?
The InChIKey is RNNCNWLOFWKLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33P/c1-4-7-13-17-15-9-8-12-16(14-15,10-5-2)11-6-3/h15,17H,4-14H2,1-3H3.
What are the key properties of butyl-(3,3-dipropylcyclohexyl)phosphane?
butyl-(3,3-dipropylcyclohexyl)phosphane has a molecular weight of 256.41 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(3,3-dipropylcyclohexyl)phosphane is sourced from PubChem (CID 173289478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).