(4,4-ditert-butylcyclohexyl)phosphane

C14H29P — CID 174901635

IUPAC(4,4-ditert-butylcyclohexyl)phosphane
SMILESCC(C)(C)C1(C(C)(C)C)CCC(P)CC1
InChIInChI=1S/C14H29P/c1-12(2,3)14(13(4,5)6)9-7-11(15)8-10-14/h11H,7-10,15H2,1-6H3
InChIKeyUPPYODMPABSRID-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.88
Rot. Bonds

About (4,4-ditert-butylcyclohexyl)phosphane

(4,4-ditert-butylcyclohexyl)phosphane (PubChem CID 174901635) has the molecular formula C14H29P and a molecular weight of 228.36 g/mol. Its IUPAC name is (4,4-ditert-butylcyclohexyl)phosphane.

Molecular Properties

Compound Name(4,4-ditert-butylcyclohexyl)phosphane
PubChem CID174901635
Molecular FormulaC14H29P
Molecular Weight228.36 g/mol
Exact Mass228.20
IUPAC Name(4,4-ditert-butylcyclohexyl)phosphane
SMILESCC(C)(C)C1(C(C)(C)C)CCC(P)CC1
InChIInChI=1S/C14H29P/c1-12(2,3)14(13(4,5)6)9-7-11(15)8-10-14/h11H,7-10,15H2,1-6H3
InChIKeyUPPYODMPABSRID-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4,4-ditert-butylcyclohexyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-ditert-butyl-4-(4,4-ditert-butylcyclohexyl)peroxycyclohexane
CID 141008223
1,1-ditert-butyl-4-tert-butylperoxycyclohexane
CID 151316353
4,4-ditert-butylthiane
CID 22953096
2,2-ditert-butylspiro[3.5]nonane
CID 155618656
cyclohexylphosphane
CID 13199
2-tert-butyl-2-ethyl-5-methyloxolane
CID 69054578
1-tert-butyl-1-ethylcyclopropane
CID 58798513
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
2-tert-butyl-2-ethyloxetane
CID 89426434
4-tert-butyl-4-(trifluoromethyl)piperidine
CID 122629323
3,3-ditert-butylthietane 1,1-dioxide
CID 176847723
1-tert-butylcyclopropane-1-carbaldehyde
CID 12542135

Frequently Asked Questions

What is the IUPAC name of (4,4-ditert-butylcyclohexyl)phosphane?
The IUPAC name of (4,4-ditert-butylcyclohexyl)phosphane (CID 174901635) is (4,4-ditert-butylcyclohexyl)phosphane.
What is the SMILES notation for (4,4-ditert-butylcyclohexyl)phosphane?
The canonical SMILES for (4,4-ditert-butylcyclohexyl)phosphane is CC(C)(C)C1(C(C)(C)C)CCC(P)CC1.
What is the InChIKey of (4,4-ditert-butylcyclohexyl)phosphane?
The InChIKey is UPPYODMPABSRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29P/c1-12(2,3)14(13(4,5)6)9-7-11(15)8-10-14/h11H,7-10,15H2,1-6H3.
What are the key properties of (4,4-ditert-butylcyclohexyl)phosphane?
(4,4-ditert-butylcyclohexyl)phosphane has a molecular weight of 228.36 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-ditert-butylcyclohexyl)phosphane is sourced from PubChem (CID 174901635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).