CID 164667516

C7H11O2 — CID 164667516

IUPAC—
SMILESCOC1[CH]C(=O)CCC1
InChIInChI=1S/C7H11O2/c1-9-7-4-2-3-6(8)5-7/h5,7H,2-4H2,1H3
InChIKeyVYUBKSMXRUNULN-UHFFFAOYSA-N
MW127.16 g/mol
LogP0.96
Rot. Bonds1

About CID 164667516

CID 164667516 (PubChem CID 164667516) has the molecular formula C7H11O2 and a molecular weight of 127.16 g/mol.

Molecular Properties

Compound NameCID 164667516
PubChem CID164667516
Molecular FormulaC7H11O2
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name—
SMILESCOC1[CH]C(=O)CCC1
InChIInChI=1S/C7H11O2/c1-9-7-4-2-3-6(8)5-7/h5,7H,2-4H2,1H3
InChIKeyVYUBKSMXRUNULN-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 164667516?
The IUPAC name of CID 164667516 (CID 164667516) is not available.
What is the SMILES notation for CID 164667516?
The canonical SMILES for CID 164667516 is COC1[CH]C(=O)CCC1.
What is the InChIKey of CID 164667516?
The InChIKey is VYUBKSMXRUNULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2/c1-9-7-4-2-3-6(8)5-7/h5,7H,2-4H2,1H3.
What are the key properties of CID 164667516?
CID 164667516 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 164667516 is sourced from PubChem (CID 164667516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).