CID 138963016

C12H19O — CID 138963016

IUPAC—
SMILES[O]CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2
InChIKeyGCZOPWOACAHMMV-UHFFFAOYSA-N
MW179.28 g/mol
LogP3.02
Rot. Bonds2

About CID 138963016

CID 138963016 (PubChem CID 138963016) has the molecular formula C12H19O and a molecular weight of 179.28 g/mol.

Molecular Properties

Compound NameCID 138963016
PubChem CID138963016
Molecular FormulaC12H19O
Molecular Weight179.28 g/mol
Exact Mass179.14
IUPAC Name—
SMILES[O]CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2
InChIKeyGCZOPWOACAHMMV-UHFFFAOYSA-N
XLogP3.02
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 138963016?
The IUPAC name of CID 138963016 (CID 138963016) is not available.
What is the SMILES notation for CID 138963016?
The canonical SMILES for CID 138963016 is [O]CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of CID 138963016?
The InChIKey is GCZOPWOACAHMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2.
What are the key properties of CID 138963016?
CID 138963016 has a molecular weight of 179.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138963016 is sourced from PubChem (CID 138963016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).