1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane

C20H37O2P — CID 140593241

IUPAC1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane
SMILESCOC1CCC(P(=O)(C2CCCCC2)C2CCC(C)CC2)CC1
InChIInChI=1S/C20H37O2P/c1-16-8-12-19(13-9-16)23(21,18-6-4-3-5-7-18)20-14-10-17(22-2)11-15-20/h16-20H,3-15H2,1-2H3
InChIKeyUSEZNPNVLHRCSP-UHFFFAOYSA-N
MW340.49 g/mol
LogP6.22
Rot. Bonds4

About 1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane

1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane (PubChem CID 140593241) has the molecular formula C20H37O2P and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane
PubChem CID140593241
Molecular FormulaC20H37O2P
Molecular Weight340.49 g/mol
Exact Mass340.25
IUPAC Name1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane
SMILESCOC1CCC(P(=O)(C2CCCCC2)C2CCC(C)CC2)CC1
InChIInChI=1S/C20H37O2P/c1-16-8-12-19(13-9-16)23(21,18-6-4-3-5-7-18)20-14-10-17(22-2)11-15-20/h16-20H,3-15H2,1-2H3
InChIKeyUSEZNPNVLHRCSP-UHFFFAOYSA-N
XLogP6.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane?
The IUPAC name of 1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane (CID 140593241) is 1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane.
What is the SMILES notation for 1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane?
The canonical SMILES for 1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane is COC1CCC(P(=O)(C2CCCCC2)C2CCC(C)CC2)CC1.
What is the InChIKey of 1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane?
The InChIKey is USEZNPNVLHRCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37O2P/c1-16-8-12-19(13-9-16)23(21,18-6-4-3-5-7-18)20-14-10-17(22-2)11-15-20/h16-20H,3-15H2,1-2H3.
What are the key properties of 1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane?
1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane has a molecular weight of 340.49 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane is sourced from PubChem (CID 140593241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).