CID 134965112

C9H16O2P — CID 134965112

IUPAC—
SMILES[CH]=C[P@](=O)(CC=C(C)C)OCC
InChIInChI=1S/C9H16O2P/c1-5-11-12(10,6-2)8-7-9(3)4/h2,6-7H,5,8H2,1,3-4H3/t12-/m1/s1
InChIKeyCQZKSBHGZFZJQR-GFCCVEGCSA-N
MW187.20 g/mol
LogP3.21
Rot. Bonds5

About CID 134965112

CID 134965112 (PubChem CID 134965112) has the molecular formula C9H16O2P and a molecular weight of 187.20 g/mol.

Molecular Properties

Compound NameCID 134965112
PubChem CID134965112
Molecular FormulaC9H16O2P
Molecular Weight187.20 g/mol
Exact Mass187.09
IUPAC Name—
SMILES[CH]=C[P@](=O)(CC=C(C)C)OCC
InChIInChI=1S/C9H16O2P/c1-5-11-12(10,6-2)8-7-9(3)4/h2,6-7H,5,8H2,1,3-4H3/t12-/m1/s1
InChIKeyCQZKSBHGZFZJQR-GFCCVEGCSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 134965112?
The IUPAC name of CID 134965112 (CID 134965112) is not available.
What is the SMILES notation for CID 134965112?
The canonical SMILES for CID 134965112 is [CH]=C[P@](=O)(CC=C(C)C)OCC.
What is the InChIKey of CID 134965112?
The InChIKey is CQZKSBHGZFZJQR-GFCCVEGCSA-N. The full InChI is InChI=1S/C9H16O2P/c1-5-11-12(10,6-2)8-7-9(3)4/h2,6-7H,5,8H2,1,3-4H3/t12-/m1/s1.
What are the key properties of CID 134965112?
CID 134965112 has a molecular weight of 187.20 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134965112 is sourced from PubChem (CID 134965112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).