CID 119097783

C6H11O4 — CID 119097783

IUPAC—
SMILESCCOC(=O)CC([O])OC
InChIInChI=1S/C6H11O4/c1-3-10-6(8)4-5(7)9-2/h5H,3-4H2,1-2H3
InChIKeyYLCMQOFDFVZDFR-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.34
Rot. Bonds4

About CID 119097783

CID 119097783 (PubChem CID 119097783) has the molecular formula C6H11O4 and a molecular weight of 147.15 g/mol.

Molecular Properties

Compound NameCID 119097783
PubChem CID119097783
Molecular FormulaC6H11O4
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name—
SMILESCCOC(=O)CC([O])OC
InChIInChI=1S/C6H11O4/c1-3-10-6(8)4-5(7)9-2/h5H,3-4H2,1-2H3
InChIKeyYLCMQOFDFVZDFR-UHFFFAOYSA-N
XLogP0.34
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.34
H-Bond Donors ≤ 50
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

ethyl (3R)-3-ethoxy-3-methoxypropanoate
CID 129409053
diethyl (2S)-2-bromobutanedioate
CID 10422366
ethyl (3S)-3-hydroxy-5,5-dimethoxypentanoate
CID 24795324
ethyl 5-methoxy-3-oxohexanoate
CID 58193892
(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxy-dimethoxyphosphanium
CID 4712989
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
ethyl (3R)-3-methylpentanoate
CID 7567160
tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810
ethyl 3-chloro-4-(2-chloro-4-ethoxy-4-oxobutoxy)butanoate
CID 131842821
ethyl (3R,5S)-6-chloro-3,5-dimethoxyhexanoate
CID 141443052
ethyl (3R)-4-cyano-3-methoxybutanoate
CID 90295827
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468

Frequently Asked Questions

What is the IUPAC name of CID 119097783?
The IUPAC name of CID 119097783 (CID 119097783) is not available.
What is the SMILES notation for CID 119097783?
The canonical SMILES for CID 119097783 is CCOC(=O)CC([O])OC.
What is the InChIKey of CID 119097783?
The InChIKey is YLCMQOFDFVZDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O4/c1-3-10-6(8)4-5(7)9-2/h5H,3-4H2,1-2H3.
What are the key properties of CID 119097783?
CID 119097783 has a molecular weight of 147.15 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119097783 is sourced from PubChem (CID 119097783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).