1-(4-propan-2-yloxycyclohexyl)ethylphosphane

C11H23OP — CID 71124191

IUPAC1-(4-propan-2-yloxycyclohexyl)ethylphosphane
SMILESCC(C)OC1CCC(C(C)P)CC1
InChIInChI=1S/C11H23OP/c1-8(2)12-11-6-4-10(5-7-11)9(3)13/h8-11H,4-7,13H2,1-3H3
InChIKeyYKEPVGVTXAMMED-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.23
Rot. Bonds3

About 1-(4-propan-2-yloxycyclohexyl)ethylphosphane

1-(4-propan-2-yloxycyclohexyl)ethylphosphane (PubChem CID 71124191) has the molecular formula C11H23OP and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(4-propan-2-yloxycyclohexyl)ethylphosphane.

Molecular Properties

Compound Name1-(4-propan-2-yloxycyclohexyl)ethylphosphane
PubChem CID71124191
Molecular FormulaC11H23OP
Molecular Weight202.28 g/mol
Exact Mass202.15
IUPAC Name1-(4-propan-2-yloxycyclohexyl)ethylphosphane
SMILESCC(C)OC1CCC(C(C)P)CC1
InChIInChI=1S/C11H23OP/c1-8(2)12-11-6-4-10(5-7-11)9(3)13/h8-11H,4-7,13H2,1-3H3
InChIKeyYKEPVGVTXAMMED-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-propan-2-yloxycyclohexyl)ethylphosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxycyclohexyl)ethylphosphane?
The IUPAC name of 1-(4-propan-2-yloxycyclohexyl)ethylphosphane (CID 71124191) is 1-(4-propan-2-yloxycyclohexyl)ethylphosphane.
What is the SMILES notation for 1-(4-propan-2-yloxycyclohexyl)ethylphosphane?
The canonical SMILES for 1-(4-propan-2-yloxycyclohexyl)ethylphosphane is CC(C)OC1CCC(C(C)P)CC1.
What is the InChIKey of 1-(4-propan-2-yloxycyclohexyl)ethylphosphane?
The InChIKey is YKEPVGVTXAMMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23OP/c1-8(2)12-11-6-4-10(5-7-11)9(3)13/h8-11H,4-7,13H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxycyclohexyl)ethylphosphane?
1-(4-propan-2-yloxycyclohexyl)ethylphosphane has a molecular weight of 202.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxycyclohexyl)ethylphosphane is sourced from PubChem (CID 71124191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).