4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol

C9H19O4P — CID 155378638

IUPAC4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol
SMILESCOP(=O)(CC1CCC(O)CC1)OC
InChIInChI=1S/C9H19O4P/c1-12-14(11,13-2)7-8-3-5-9(10)6-4-8/h8-10H,3-7H2,1-2H3
InChIKeyJGVHZLJFKGWXGR-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.02
Rot. Bonds4

About 4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol

4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol (PubChem CID 155378638) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol
PubChem CID155378638
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol
SMILESCOP(=O)(CC1CCC(O)CC1)OC
InChIInChI=1S/C9H19O4P/c1-12-14(11,13-2)7-8-3-5-9(10)6-4-8/h8-10H,3-7H2,1-2H3
InChIKeyJGVHZLJFKGWXGR-UHFFFAOYSA-N
XLogP2.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol (CID 155378638) is 4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol is COP(=O)(CC1CCC(O)CC1)OC.
What is the InChIKey of 4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol?
The InChIKey is JGVHZLJFKGWXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-12-14(11,13-2)7-8-3-5-9(10)6-4-8/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol?
4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol has a molecular weight of 222.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 155378638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).