CID 59269692

C6H12O2 — CID 59269692

IUPAC—
SMILES[CH]CCC(CO)CO
InChIInChI=1S/C6H12O2/c1-2-3-6(4-7)5-8/h1,6-8H,2-5H2
InChIKeySRTJIXNWQZYBQF-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.08
Rot. Bonds4

About CID 59269692

CID 59269692 (PubChem CID 59269692) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol.

Molecular Properties

Compound NameCID 59269692
PubChem CID59269692
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name—
SMILES[CH]CCC(CO)CO
InChIInChI=1S/C6H12O2/c1-2-3-6(4-7)5-8/h1,6-8H,2-5H2
InChIKeySRTJIXNWQZYBQF-UHFFFAOYSA-N
XLogP0.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18674567
4-bromo-2-(2-bromoethyl)butan-1-ol
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2-(3-methylbut-3-enyl)propane-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of CID 59269692?
The IUPAC name of CID 59269692 (CID 59269692) is not available.
What is the SMILES notation for CID 59269692?
The canonical SMILES for CID 59269692 is [CH]CCC(CO)CO.
What is the InChIKey of CID 59269692?
The InChIKey is SRTJIXNWQZYBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-3-6(4-7)5-8/h1,6-8H,2-5H2.
What are the key properties of CID 59269692?
CID 59269692 has a molecular weight of 116.16 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269692 is sourced from PubChem (CID 59269692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).