CID 140659203

C12H21O2 — CID 140659203

IUPAC—
SMILES[O]CCCCCC(=O)C1CCCCC1
InChIInChI=1S/C12H21O2/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h11H,1-10H2
InChIKeyKNZPLQXNZKIFDD-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.13
Rot. Bonds6

About CID 140659203

CID 140659203 (PubChem CID 140659203) has the molecular formula C12H21O2 and a molecular weight of 197.30 g/mol.

Molecular Properties

Compound NameCID 140659203
PubChem CID140659203
Molecular FormulaC12H21O2
Molecular Weight197.30 g/mol
Exact Mass197.15
IUPAC Name—
SMILES[O]CCCCCC(=O)C1CCCCC1
InChIInChI=1S/C12H21O2/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h11H,1-10H2
InChIKeyKNZPLQXNZKIFDD-UHFFFAOYSA-N
XLogP3.13
TPSA36.97 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 65399298
4-bromo-1-cyclohexylbutan-1-one;ethene
CID 20509826
1-cyclohexylhex-5-yn-1-one
CID 10354296
1-cyclobutylnonane-1,8-dione
CID 70928486
1-cyclobutyldodecan-1-one
CID 115811550
1-cyclopentyl-7-methyloctan-1-one
CID 155793674
ethyl 8-cyclohexyl-8-oxooctanoate
CID 24727431
1-cycloheptylbutan-1-one
CID 54353743

Frequently Asked Questions

What is the IUPAC name of CID 140659203?
The IUPAC name of CID 140659203 (CID 140659203) is not available.
What is the SMILES notation for CID 140659203?
The canonical SMILES for CID 140659203 is [O]CCCCCC(=O)C1CCCCC1.
What is the InChIKey of CID 140659203?
The InChIKey is KNZPLQXNZKIFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O2/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h11H,1-10H2.
What are the key properties of CID 140659203?
CID 140659203 has a molecular weight of 197.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140659203 is sourced from PubChem (CID 140659203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).