(5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite

C11H23O3P — CID 89140611

IUPAC(5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite
SMILESCCC(C)(CC)C(C=C(C)C)OP(O)O
InChIInChI=1S/C11H23O3P/c1-6-11(5,7-2)10(8-9(3)4)14-15(12)13/h8,10,12-13H,6-7H2,1-5H3
InChIKeyPMPZERGNFCJMEE-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.38
Rot. Bonds6

About (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite

(5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite (PubChem CID 89140611) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite.

Molecular Properties

Compound Name(5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite
PubChem CID89140611
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name(5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite
SMILESCCC(C)(CC)C(C=C(C)C)OP(O)O
InChIInChI=1S/C11H23O3P/c1-6-11(5,7-2)10(8-9(3)4)14-15(12)13/h8,10,12-13H,6-7H2,1-5H3
InChIKeyPMPZERGNFCJMEE-UHFFFAOYSA-N
XLogP3.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite 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 (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite?
The IUPAC name of (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite (CID 89140611) is (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite.
What is the SMILES notation for (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite?
The canonical SMILES for (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite is CCC(C)(CC)C(C=C(C)C)OP(O)O.
What is the InChIKey of (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite?
The InChIKey is PMPZERGNFCJMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3P/c1-6-11(5,7-2)10(8-9(3)4)14-15(12)13/h8,10,12-13H,6-7H2,1-5H3.
What are the key properties of (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite?
(5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite has a molecular weight of 234.28 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite is sourced from PubChem (CID 89140611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).