1-dimethylphosphoryloxy-3-methylcyclohexane

C9H19O2P — CID 154198926

IUPAC1-dimethylphosphoryloxy-3-methylcyclohexane
SMILESCC1CCCC(OP(C)(C)=O)C1
InChIInChI=1S/C9H19O2P/c1-8-5-4-6-9(7-8)11-12(2,3)10/h8-9H,4-7H2,1-3H3
InChIKeyXEHMWYNBPUFERK-UHFFFAOYSA-N
MW190.22 g/mol
LogP3.12
Rot. Bonds2

About 1-dimethylphosphoryloxy-3-methylcyclohexane

1-dimethylphosphoryloxy-3-methylcyclohexane (PubChem CID 154198926) has the molecular formula C9H19O2P and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-dimethylphosphoryloxy-3-methylcyclohexane.

Molecular Properties

Compound Name1-dimethylphosphoryloxy-3-methylcyclohexane
PubChem CID154198926
Molecular FormulaC9H19O2P
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name1-dimethylphosphoryloxy-3-methylcyclohexane
SMILESCC1CCCC(OP(C)(C)=O)C1
InChIInChI=1S/C9H19O2P/c1-8-5-4-6-9(7-8)11-12(2,3)10/h8-9H,4-7H2,1-3H3
InChIKeyXEHMWYNBPUFERK-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylcyclohexyl)oxy-4-methylidenecyclohexane
CID 59748641
1-methyl-3-prop-2-enoxycyclohexane
CID 90739915
(1R)-1,3-dimethylcyclohexane
CID 12594306
cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 162553401
(1R)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 89263483
(3-fluorocyclohexyl)oxy-methylphosphinic acid
CID 175015498
CID 175388606
CID 175388606
1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide
CID 79638218
N,2-dimethyl-2-(3-methylcyclohexyl)oxypropan-1-amine
CID 62354409
2-(3-methylcyclohexyl)oxyacetaldehyde;propane
CID 142809880
tricyclobutyl phosphate
CID 66609052
triethyl-[(3S)-3-methylcyclohexyl]oxysilane
CID 142748817

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryloxy-3-methylcyclohexane?
The IUPAC name of 1-dimethylphosphoryloxy-3-methylcyclohexane (CID 154198926) is 1-dimethylphosphoryloxy-3-methylcyclohexane.
What is the SMILES notation for 1-dimethylphosphoryloxy-3-methylcyclohexane?
The canonical SMILES for 1-dimethylphosphoryloxy-3-methylcyclohexane is CC1CCCC(OP(C)(C)=O)C1.
What is the InChIKey of 1-dimethylphosphoryloxy-3-methylcyclohexane?
The InChIKey is XEHMWYNBPUFERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2P/c1-8-5-4-6-9(7-8)11-12(2,3)10/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-dimethylphosphoryloxy-3-methylcyclohexane?
1-dimethylphosphoryloxy-3-methylcyclohexane has a molecular weight of 190.22 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryloxy-3-methylcyclohexane is sourced from PubChem (CID 154198926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).