CID 134888409

C15H25O2 — CID 134888409

IUPAC—
SMILESCCCCCC1=C(CCCC)[C]1C(=O)OCC
InChIInChI=1S/C15H25O2/c1-4-7-9-11-13-12(10-8-5-2)14(13)15(16)17-6-3/h4-11H2,1-3H3
InChIKeyRVRHTVAKMUVPKW-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.20
Rot. Bonds9

About CID 134888409

CID 134888409 (PubChem CID 134888409) has the molecular formula C15H25O2 and a molecular weight of 237.36 g/mol.

Molecular Properties

Compound NameCID 134888409
PubChem CID134888409
Molecular FormulaC15H25O2
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name—
SMILESCCCCCC1=C(CCCC)[C]1C(=O)OCC
InChIInChI=1S/C15H25O2/c1-4-7-9-11-13-12(10-8-5-2)14(13)15(16)17-6-3/h4-11H2,1-3H3
InChIKeyRVRHTVAKMUVPKW-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.20
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 134888409?
The IUPAC name of CID 134888409 (CID 134888409) is not available.
What is the SMILES notation for CID 134888409?
The canonical SMILES for CID 134888409 is CCCCCC1=C(CCCC)[C]1C(=O)OCC.
What is the InChIKey of CID 134888409?
The InChIKey is RVRHTVAKMUVPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O2/c1-4-7-9-11-13-12(10-8-5-2)14(13)15(16)17-6-3/h4-11H2,1-3H3.
What are the key properties of CID 134888409?
CID 134888409 has a molecular weight of 237.36 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888409 is sourced from PubChem (CID 134888409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).