(3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid

C11H23O4P — CID 130286975

IUPAC(3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid
SMILESCC(C1CCCCCC1)C(C)(O)P(=O)(O)O
InChIInChI=1S/C11H23O4P/c1-9(11(2,12)16(13,14)15)10-7-5-3-4-6-8-10/h9-10,12H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyQBBRKKCUECDWJZ-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.48
Rot. Bonds3

About (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid

(3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid (PubChem CID 130286975) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid
PubChem CID130286975
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Name(3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid
SMILESCC(C1CCCCCC1)C(C)(O)P(=O)(O)O
InChIInChI=1S/C11H23O4P/c1-9(11(2,12)16(13,14)15)10-7-5-3-4-6-8-10/h9-10,12H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyQBBRKKCUECDWJZ-UHFFFAOYSA-N
XLogP2.48
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid 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

(2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid
CID 135389562
(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 89281788
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
1,1-dicyclohexylpropane-2,2-diol
CID 141350052
3-cyclohexyl-2-methylbutane-2-sulfinamide
CID 89464801
2-cyclohexylpropanoic acid;(2S)-2,3,3-trimethylbutanoic acid
CID 91274139
N-cyclohexyl-2-(2,2-dimethylpropylamino)propanamide
CID 61168818
[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid
CID 10037048
1,1,1-trimethoxypropan-2-ylcyclohexane
CID 118007737
[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid
CID 15351769
1-bromoethylcyclododecane
CID 66471074
3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81389207

Frequently Asked Questions

What is the IUPAC name of (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid?
The IUPAC name of (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid (CID 130286975) is (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid.
What is the SMILES notation for (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid?
The canonical SMILES for (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid is CC(C1CCCCCC1)C(C)(O)P(=O)(O)O.
What is the InChIKey of (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid?
The InChIKey is QBBRKKCUECDWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O4P/c1-9(11(2,12)16(13,14)15)10-7-5-3-4-6-8-10/h9-10,12H,3-8H2,1-2H3,(H2,13,14,15).
What are the key properties of (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid?
(3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid has a molecular weight of 250.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid is sourced from PubChem (CID 130286975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).