CID 10927716

C7H9O2 — CID 10927716

IUPAC—
SMILES[CH2][CH][CH][CH][CH]C(=O)OC
InChIInChI=1S/C7H9O2/c1-3-4-5-6-7(8)9-2/h3-6H,1H2,2H3
InChIKeyMATBCSRMWJEDKZ-UHFFFAOYSA-N
MW125.15 g/mol
LogP0.81
Rot. Bonds4

About CID 10927716

CID 10927716 (PubChem CID 10927716) has the molecular formula C7H9O2 and a molecular weight of 125.15 g/mol.

Molecular Properties

Compound NameCID 10927716
PubChem CID10927716
Molecular FormulaC7H9O2
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name—
SMILES[CH2][CH][CH][CH][CH]C(=O)OC
InChIInChI=1S/C7H9O2/c1-3-4-5-6-7(8)9-2/h3-6H,1H2,2H3
InChIKeyMATBCSRMWJEDKZ-UHFFFAOYSA-N
XLogP0.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10927716?
The IUPAC name of CID 10927716 (CID 10927716) is not available.
What is the SMILES notation for CID 10927716?
The canonical SMILES for CID 10927716 is [CH2][CH][CH][CH][CH]C(=O)OC.
What is the InChIKey of CID 10927716?
The InChIKey is MATBCSRMWJEDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2/c1-3-4-5-6-7(8)9-2/h3-6H,1H2,2H3.
What are the key properties of CID 10927716?
CID 10927716 has a molecular weight of 125.15 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10927716 is sourced from PubChem (CID 10927716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).