CID 101035722

C7H11O — CID 101035722

IUPAC—
SMILES[O]C12CCC(CC1)C2
InChIInChI=1S/C7H11O/c8-7-3-1-6(5-7)2-4-7/h6H,1-5H2
InChIKeyQPPJPSXOWAHGIH-UHFFFAOYSA-N
MW111.16 g/mol
LogP1.75
Rot. Bonds

About CID 101035722

CID 101035722 (PubChem CID 101035722) has the molecular formula C7H11O and a molecular weight of 111.16 g/mol.

Molecular Properties

Compound NameCID 101035722
PubChem CID101035722
Molecular FormulaC7H11O
Molecular Weight111.16 g/mol
Exact Mass111.08
IUPAC Name—
SMILES[O]C12CCC(CC1)C2
InChIInChI=1S/C7H11O/c8-7-3-1-6(5-7)2-4-7/h6H,1-5H2
InChIKeyQPPJPSXOWAHGIH-UHFFFAOYSA-N
XLogP1.75
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.16
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 101035722?
The IUPAC name of CID 101035722 (CID 101035722) is not available.
What is the SMILES notation for CID 101035722?
The canonical SMILES for CID 101035722 is [O]C12CCC(CC1)C2.
What is the InChIKey of CID 101035722?
The InChIKey is QPPJPSXOWAHGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O/c8-7-3-1-6(5-7)2-4-7/h6H,1-5H2.
What are the key properties of CID 101035722?
CID 101035722 has a molecular weight of 111.16 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101035722 is sourced from PubChem (CID 101035722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).