CID 59090951

C6H12O3 — CID 59090951

IUPAC—
SMILES[CH]C(O)CC(OC)OC
InChIInChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h1,5-7H,4H2,2-3H3
InChIKeyKVWWPRQYGDWSEE-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.07
Rot. Bonds4

About CID 59090951

CID 59090951 (PubChem CID 59090951) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol.

Molecular Properties

Compound NameCID 59090951
PubChem CID59090951
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name—
SMILES[CH]C(O)CC(OC)OC
InChIInChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h1,5-7H,4H2,2-3H3
InChIKeyKVWWPRQYGDWSEE-UHFFFAOYSA-N
XLogP0.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethoxypentane-1,3-diol
CID 57301339
3-chloro-1,1-dimethoxybutane
CID 119097582
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
(2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol
CID 10035953
2-amino-4,4-dimethoxybutanoic acid
CID 20649849
ethyl (3S)-3-hydroxy-5,5-dimethoxypentanoate
CID 24795324
4,4-dimethoxy-2-N-propylbutane-1,2-diamine
CID 66268239
2-(2,2-dimethoxyethyl)propanedinitrile
CID 11008134
1,1-dimethoxypentan-3-ylsilane
CID 174743035
4,4-dimethoxy-2-N-prop-2-ynylbutane-1,2-diamine
CID 66270333
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
magnesium;2,2-dimethoxyethanol;hydride
CID 174500323

Frequently Asked Questions

What is the IUPAC name of CID 59090951?
The IUPAC name of CID 59090951 (CID 59090951) is not available.
What is the SMILES notation for CID 59090951?
The canonical SMILES for CID 59090951 is [CH]C(O)CC(OC)OC.
What is the InChIKey of CID 59090951?
The InChIKey is KVWWPRQYGDWSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h1,5-7H,4H2,2-3H3.
What are the key properties of CID 59090951?
CID 59090951 has a molecular weight of 132.16 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59090951 is sourced from PubChem (CID 59090951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).