5,5-dimethylhept-2-en-4-yl dihydrogen phosphite

C9H19O3P — CID 89138744

IUPAC5,5-dimethylhept-2-en-4-yl dihydrogen phosphite
SMILESCC=CC(OP(O)O)C(C)(C)CC
InChIInChI=1S/C9H19O3P/c1-5-7-8(12-13(10)11)9(3,4)6-2/h5,7-8,10-11H,6H2,1-4H3
InChIKeyNYRGTKQXDYTATQ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.60
Rot. Bonds5

About 5,5-dimethylhept-2-en-4-yl dihydrogen phosphite

5,5-dimethylhept-2-en-4-yl dihydrogen phosphite (PubChem CID 89138744) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 5,5-dimethylhept-2-en-4-yl dihydrogen phosphite.

Molecular Properties

Compound Name5,5-dimethylhept-2-en-4-yl dihydrogen phosphite
PubChem CID89138744
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name5,5-dimethylhept-2-en-4-yl dihydrogen phosphite
SMILESCC=CC(OP(O)O)C(C)(C)CC
InChIInChI=1S/C9H19O3P/c1-5-7-8(12-13(10)11)9(3,4)6-2/h5,7-8,10-11H,6H2,1-4H3
InChIKeyNYRGTKQXDYTATQ-UHFFFAOYSA-N
XLogP2.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhept-2-en-4-yl dihydrogen phosphite?
The IUPAC name of 5,5-dimethylhept-2-en-4-yl dihydrogen phosphite (CID 89138744) is 5,5-dimethylhept-2-en-4-yl dihydrogen phosphite.
What is the SMILES notation for 5,5-dimethylhept-2-en-4-yl dihydrogen phosphite?
The canonical SMILES for 5,5-dimethylhept-2-en-4-yl dihydrogen phosphite is CC=CC(OP(O)O)C(C)(C)CC.
What is the InChIKey of 5,5-dimethylhept-2-en-4-yl dihydrogen phosphite?
The InChIKey is NYRGTKQXDYTATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-5-7-8(12-13(10)11)9(3,4)6-2/h5,7-8,10-11H,6H2,1-4H3.
What are the key properties of 5,5-dimethylhept-2-en-4-yl dihydrogen phosphite?
5,5-dimethylhept-2-en-4-yl dihydrogen phosphite has a molecular weight of 206.22 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhept-2-en-4-yl dihydrogen phosphite is sourced from PubChem (CID 89138744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).