dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite

C23H40O6P2 — CID 158541256

IUPACdicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite
SMILESCCCCCc1ccccc1OP(O)O.OP(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C12H23O3P.C11H17O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-3-4-7-10-8-5-6-9-11(10)14-15(12)13/h11-13H,1-10H2;5-6,8-9,12-13H,2-4,7H2,1H3
InChIKeyHONVEBGLVZQFEV-UHFFFAOYSA-N
MW474.52 g/mol
LogP6.91
Rot. Bonds10

About dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite

dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite (PubChem CID 158541256) has the molecular formula C23H40O6P2 and a molecular weight of 474.52 g/mol. Its IUPAC name is dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Namedicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite
PubChem CID158541256
Molecular FormulaC23H40O6P2
Molecular Weight474.52 g/mol
Exact Mass474.23
IUPAC Namedicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite
SMILESCCCCCc1ccccc1OP(O)O.OP(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C12H23O3P.C11H17O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-3-4-7-10-8-5-6-9-11(10)14-15(12)13/h11-13H,1-10H2;5-6,8-9,12-13H,2-4,7H2,1H3
InChIKeyHONVEBGLVZQFEV-UHFFFAOYSA-N
XLogP6.91
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 56.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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[4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite
CID 101311988
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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite?
The IUPAC name of dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite (CID 158541256) is dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite.
What is the SMILES notation for dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite?
The canonical SMILES for dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite is CCCCCc1ccccc1OP(O)O.OP(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite?
The InChIKey is HONVEBGLVZQFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O3P.C11H17O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-3-4-7-10-8-5-6-9-11(10)14-15(12)13/h11-13H,1-10H2;5-6,8-9,12-13H,2-4,7H2,1H3.
What are the key properties of dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite?
dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite has a molecular weight of 474.52 g/mol, XLogP of 6.91, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite is sourced from PubChem (CID 158541256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).