CID 59070091

C6H10O2 — CID 59070091

IUPAC—
SMILES[CH][C@](C)(C=O)CCO
InChIInChI=1S/C6H10O2/c1-6(2,5-8)3-4-7/h1,5,7H,3-4H2,2H3/t6-/m1/s1
InChIKeyAHFQKVOORLOTDP-ZCFIWIBFSA-N
MW114.14 g/mol
LogP0.29
Rot. Bonds3

About CID 59070091

CID 59070091 (PubChem CID 59070091) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol.

Molecular Properties

Compound NameCID 59070091
PubChem CID59070091
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name—
SMILES[CH][C@](C)(C=O)CCO
InChIInChI=1S/C6H10O2/c1-6(2,5-8)3-4-7/h1,5,7H,3-4H2,2H3/t6-/m1/s1
InChIKeyAHFQKVOORLOTDP-ZCFIWIBFSA-N
XLogP0.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59070091?
The IUPAC name of CID 59070091 (CID 59070091) is not available.
What is the SMILES notation for CID 59070091?
The canonical SMILES for CID 59070091 is [CH][C@](C)(C=O)CCO.
What is the InChIKey of CID 59070091?
The InChIKey is AHFQKVOORLOTDP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(2,5-8)3-4-7/h1,5,7H,3-4H2,2H3/t6-/m1/s1.
What are the key properties of CID 59070091?
CID 59070091 has a molecular weight of 114.14 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59070091 is sourced from PubChem (CID 59070091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).