CID 164667518

C7H11O2 — CID 164667518

IUPAC—
SMILESCOC1[CH]CCC(=O)C1
InChIInChI=1S/C7H11O2/c1-9-7-4-2-3-6(8)5-7/h4,7H,2-3,5H2,1H3
InChIKeyDQTDVOMWJQHGTB-UHFFFAOYSA-N
MW127.16 g/mol
LogP0.96
Rot. Bonds1

About CID 164667518

CID 164667518 (PubChem CID 164667518) has the molecular formula C7H11O2 and a molecular weight of 127.16 g/mol.

Molecular Properties

Compound NameCID 164667518
PubChem CID164667518
Molecular FormulaC7H11O2
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name—
SMILESCOC1[CH]CCC(=O)C1
InChIInChI=1S/C7H11O2/c1-9-7-4-2-3-6(8)5-7/h4,7H,2-3,5H2,1H3
InChIKeyDQTDVOMWJQHGTB-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 164667518?
The IUPAC name of CID 164667518 (CID 164667518) is not available.
What is the SMILES notation for CID 164667518?
The canonical SMILES for CID 164667518 is COC1[CH]CCC(=O)C1.
What is the InChIKey of CID 164667518?
The InChIKey is DQTDVOMWJQHGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2/c1-9-7-4-2-3-6(8)5-7/h4,7H,2-3,5H2,1H3.
What are the key properties of CID 164667518?
CID 164667518 has a molecular weight of 127.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164667518 is sourced from PubChem (CID 164667518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).