dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol

C12H21O4P — CID 10445301

IUPACdimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol
SMILESC=C(C)[C@H]1CC=C(C(O)P(=O)(OC)OC)CC1
InChIInChI=1S/C12H21O4P/c1-9(2)10-5-7-11(8-6-10)12(13)17(14,15-3)16-4/h7,10,12-13H,1,5-6,8H2,2-4H3/t10-,12?/m0/s1
InChIKeyNTOHWCAIFDMUHR-NUHJPDEHSA-N
MW260.27 g/mol
LogP3.09
Rot. Bonds5

About dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol

dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol (PubChem CID 10445301) has the molecular formula C12H21O4P and a molecular weight of 260.27 g/mol. Its IUPAC name is dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol.

Molecular Properties

Compound Namedimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol
PubChem CID10445301
Molecular FormulaC12H21O4P
Molecular Weight260.27 g/mol
Exact Mass260.12
IUPAC Namedimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol
SMILESC=C(C)[C@H]1CC=C(C(O)P(=O)(OC)OC)CC1
InChIInChI=1S/C12H21O4P/c1-9(2)10-5-7-11(8-6-10)12(13)17(14,15-3)16-4/h7,10,12-13H,1,5-6,8H2,2-4H3/t10-,12?/m0/s1
InChIKeyNTOHWCAIFDMUHR-NUHJPDEHSA-N
XLogP3.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol?
The IUPAC name of dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol (CID 10445301) is dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol.
What is the SMILES notation for dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol?
The canonical SMILES for dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol is C=C(C)[C@H]1CC=C(C(O)P(=O)(OC)OC)CC1.
What is the InChIKey of dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol?
The InChIKey is NTOHWCAIFDMUHR-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H21O4P/c1-9(2)10-5-7-11(8-6-10)12(13)17(14,15-3)16-4/h7,10,12-13H,1,5-6,8H2,2-4H3/t10-,12?/m0/s1.
What are the key properties of dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol?
dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol has a molecular weight of 260.27 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphoryl-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol is sourced from PubChem (CID 10445301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).