bis(1-methylcyclohexyl) hydrogen phosphite

C14H27O3P — CID 154127230

IUPACbis(1-methylcyclohexyl) hydrogen phosphite
SMILESCC1(OP(O)OC2(C)CCCCC2)CCCCC1
InChIInChI=1S/C14H27O3P/c1-13(9-5-3-6-10-13)16-18(15)17-14(2)11-7-4-8-12-14/h15H,3-12H2,1-2H3
InChIKeyZNLARKPIPBJRNV-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.68
Rot. Bonds4

About bis(1-methylcyclohexyl) hydrogen phosphite

bis(1-methylcyclohexyl) hydrogen phosphite (PubChem CID 154127230) has the molecular formula C14H27O3P and a molecular weight of 274.34 g/mol. Its IUPAC name is bis(1-methylcyclohexyl) hydrogen phosphite.

Molecular Properties

Compound Namebis(1-methylcyclohexyl) hydrogen phosphite
PubChem CID154127230
Molecular FormulaC14H27O3P
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Namebis(1-methylcyclohexyl) hydrogen phosphite
SMILESCC1(OP(O)OC2(C)CCCCC2)CCCCC1
InChIInChI=1S/C14H27O3P/c1-13(9-5-3-6-10-13)16-18(15)17-14(2)11-7-4-8-12-14/h15H,3-12H2,1-2H3
InChIKeyZNLARKPIPBJRNV-UHFFFAOYSA-N
XLogP4.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(1-methylcyclohexyl) hydrogen phosphite 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-methoxy-1-methylcyclononane
CID 123479365
1-methoxy-1-methylcyclodecane
CID 23154687
bis[(1-methylcyclohexyl)oxy]borinic acid
CID 68895050
bis(1-methylcyclohexyl) oxalate
CID 154101354
CID 66889758
CID 66889758
methyl (1-methylcycloheptyl) carbonate
CID 172553116
1-(iodomethoxy)-1-methylcyclohexane
CID 142277967
(1-methylcyclohexyl) acetate;propane
CID 143035856
1-cyclohexyloxy-1-methylcyclohexane
CID 57243949
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1-dimethylcyclononane
CID 59289773
1,1,7,7-tetramethylcyclopentadecane
CID 123360096

Frequently Asked Questions

What is the IUPAC name of bis(1-methylcyclohexyl) hydrogen phosphite?
The IUPAC name of bis(1-methylcyclohexyl) hydrogen phosphite (CID 154127230) is bis(1-methylcyclohexyl) hydrogen phosphite.
What is the SMILES notation for bis(1-methylcyclohexyl) hydrogen phosphite?
The canonical SMILES for bis(1-methylcyclohexyl) hydrogen phosphite is CC1(OP(O)OC2(C)CCCCC2)CCCCC1.
What is the InChIKey of bis(1-methylcyclohexyl) hydrogen phosphite?
The InChIKey is ZNLARKPIPBJRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O3P/c1-13(9-5-3-6-10-13)16-18(15)17-14(2)11-7-4-8-12-14/h15H,3-12H2,1-2H3.
What are the key properties of bis(1-methylcyclohexyl) hydrogen phosphite?
bis(1-methylcyclohexyl) hydrogen phosphite has a molecular weight of 274.34 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylcyclohexyl) hydrogen phosphite is sourced from PubChem (CID 154127230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).