CID 134892665

C8H13O3 — CID 134892665

IUPAC—
SMILESCC(=O)[CH]CC1(C)OCCO1
InChIInChI=1S/C8H13O3/c1-7(9)3-4-8(2)10-5-6-11-8/h3H,4-6H2,1-2H3
InChIKeyDNEJDIPQXLWKKH-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.93
Rot. Bonds3

About CID 134892665

CID 134892665 (PubChem CID 134892665) has the molecular formula C8H13O3 and a molecular weight of 157.19 g/mol.

Molecular Properties

Compound NameCID 134892665
PubChem CID134892665
Molecular FormulaC8H13O3
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name—
SMILESCC(=O)[CH]CC1(C)OCCO1
InChIInChI=1S/C8H13O3/c1-7(9)3-4-8(2)10-5-6-11-8/h3H,4-6H2,1-2H3
InChIKeyDNEJDIPQXLWKKH-UHFFFAOYSA-N
XLogP0.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 134892665?
The IUPAC name of CID 134892665 (CID 134892665) is not available.
What is the SMILES notation for CID 134892665?
The canonical SMILES for CID 134892665 is CC(=O)[CH]CC1(C)OCCO1.
What is the InChIKey of CID 134892665?
The InChIKey is DNEJDIPQXLWKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O3/c1-7(9)3-4-8(2)10-5-6-11-8/h3H,4-6H2,1-2H3.
What are the key properties of CID 134892665?
CID 134892665 has a molecular weight of 157.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134892665 is sourced from PubChem (CID 134892665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).