(R)-cyclohexyl(dimethoxyphosphoryl)methanol

C9H19O4P — CID 11127863

IUPAC(R)-cyclohexyl(dimethoxyphosphoryl)methanol
SMILESCOP(=O)(OC)[C@@H](O)C1CCCCC1
InChIInChI=1S/C9H19O4P/c1-12-14(11,13-2)9(10)8-6-4-3-5-7-8/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyOHAZFTZQGWXLJK-SECBINFHSA-N
MW222.22 g/mol
LogP2.37
Rot. Bonds4

About (R)-cyclohexyl(dimethoxyphosphoryl)methanol

(R)-cyclohexyl(dimethoxyphosphoryl)methanol (PubChem CID 11127863) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is (R)-cyclohexyl(dimethoxyphosphoryl)methanol.

Molecular Properties

Compound Name(R)-cyclohexyl(dimethoxyphosphoryl)methanol
PubChem CID11127863
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name(R)-cyclohexyl(dimethoxyphosphoryl)methanol
SMILESCOP(=O)(OC)[C@@H](O)C1CCCCC1
InChIInChI=1S/C9H19O4P/c1-12-14(11,13-2)9(10)8-6-4-3-5-7-8/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyOHAZFTZQGWXLJK-SECBINFHSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexyl phosphate (mixed isomers)
CID 83024
(2-Ethyl-1-hydroxyhexyl)phosphonic acid
CID 101158
Alpha-hydroxyfarnesylphosphonic acid
CID 46937103
Dimethyl {cyclohexyl[(dimethoxyphosphoryl)oxy]methyl}phosphonate
CID 13841521
[Cyclohexyl(hydroxy)methyl]phosphonic acid
CID 44459710
Phosphonic acid, (cyclohexylhydroxymethyl)-, dimethyl ester
CID 332256
Cyclohexyl(diethoxyphosphoryl)methanol
CID 15253198
[Cyclohexyl(hydroxy)methyl]-hydroxy-oxophosphanium
CID 19690875
a-Hydroxyfarnesyl phosphonic acid
CID 129662044
1-Cyclohexyl-2-dimethoxyphosphorylethanol
CID 134965473
1-Dimethoxyphosphoryl-3-methylcyclohexan-1-ol
CID 23413452
1-Dimethoxyphosphoryl-4-methylcyclohexan-1-ol
CID 23413453

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl(dimethoxyphosphoryl)methanol?
The IUPAC name of (R)-cyclohexyl(dimethoxyphosphoryl)methanol (CID 11127863) is (R)-cyclohexyl(dimethoxyphosphoryl)methanol.
What is the SMILES notation for (R)-cyclohexyl(dimethoxyphosphoryl)methanol?
The canonical SMILES for (R)-cyclohexyl(dimethoxyphosphoryl)methanol is COP(=O)(OC)[C@@H](O)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl(dimethoxyphosphoryl)methanol?
The InChIKey is OHAZFTZQGWXLJK-SECBINFHSA-N. The full InChI is InChI=1S/C9H19O4P/c1-12-14(11,13-2)9(10)8-6-4-3-5-7-8/h8-10H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (R)-cyclohexyl(dimethoxyphosphoryl)methanol?
(R)-cyclohexyl(dimethoxyphosphoryl)methanol has a molecular weight of 222.22 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl(dimethoxyphosphoryl)methanol is sourced from PubChem (CID 11127863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).