CID 101002331

C6H13O — CID 101002331

IUPAC—
SMILESCC([O])C(C)(C)C
InChIInChI=1S/C6H13O/c1-5(7)6(2,3)4/h5H,1-4H3
InChIKeyFUJGGMGLFRRPFU-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.85
Rot. Bonds

About CID 101002331

CID 101002331 (PubChem CID 101002331) has the molecular formula C6H13O and a molecular weight of 101.17 g/mol.

Molecular Properties

Compound NameCID 101002331
PubChem CID101002331
Molecular FormulaC6H13O
Molecular Weight101.17 g/mol
Exact Mass101.10
IUPAC Name—
SMILESCC([O])C(C)(C)C
InChIInChI=1S/C6H13O/c1-5(7)6(2,3)4/h5H,1-4H3
InChIKeyFUJGGMGLFRRPFU-UHFFFAOYSA-N
XLogP1.85
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 101002331?
The IUPAC name of CID 101002331 (CID 101002331) is not available.
What is the SMILES notation for CID 101002331?
The canonical SMILES for CID 101002331 is CC([O])C(C)(C)C.
What is the InChIKey of CID 101002331?
The InChIKey is FUJGGMGLFRRPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O/c1-5(7)6(2,3)4/h5H,1-4H3.
What are the key properties of CID 101002331?
CID 101002331 has a molecular weight of 101.17 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101002331 is sourced from PubChem (CID 101002331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).