2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane

C17H33O2P — CID 595889

IUPAC2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OP(C)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H33O2P/c1-13(2)16-11-10-14(3)12-17(16)19-20(4,18)15-8-6-5-7-9-15/h13-17H,5-12H2,1-4H3
InChIKeyIMSLAYGVSYEFSY-UHFFFAOYSA-N
MW300.42 g/mol
LogP5.70
Rot. Bonds4

About 2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane

2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 595889) has the molecular formula C17H33O2P and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane
PubChem CID595889
Molecular FormulaC17H33O2P
Molecular Weight300.42 g/mol
Exact Mass300.22
IUPAC Name2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OP(C)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H33O2P/c1-13(2)16-11-10-14(3)12-17(16)19-20(4,18)15-8-6-5-7-9-15/h13-17H,5-12H2,1-4H3
InChIKeyIMSLAYGVSYEFSY-UHFFFAOYSA-N
XLogP5.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.42
LogP ≤ 55.70
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 2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane (CID 595889) is 2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(OP(C)(=O)C2CCCCC2)C1.
What is the InChIKey of 2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is IMSLAYGVSYEFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33O2P/c1-13(2)16-11-10-14(3)12-17(16)19-20(4,18)15-8-6-5-7-9-15/h13-17H,5-12H2,1-4H3.
What are the key properties of 2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane?
2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 300.42 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 595889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).