dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate

C22H42O6 — CID 173106750

IUPACdodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate
SMILESCCCCCCCCCCCCC1CCC1.O=C(CO)OCCOC(=O)CO
InChIInChI=1S/C16H32.C6H10O6/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16;7-3-5(9)11-1-2-12-6(10)4-8/h16H,2-15H2,1H3;7-8H,1-4H2
InChIKeyVNVORHDYAOGVHE-UHFFFAOYSA-N
MW402.57 g/mol
LogP4.15
Rot. Bonds16

About dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate

dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate (PubChem CID 173106750) has the molecular formula C22H42O6 and a molecular weight of 402.57 g/mol. Its IUPAC name is dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate.

Molecular Properties

Compound Namedodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate
PubChem CID173106750
Molecular FormulaC22H42O6
Molecular Weight402.57 g/mol
Exact Mass402.30
IUPAC Namedodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate
SMILESCCCCCCCCCCCCC1CCC1.O=C(CO)OCCOC(=O)CO
InChIInChI=1S/C16H32.C6H10O6/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16;7-3-5(9)11-1-2-12-6(10)4-8/h16H,2-15H2,1H3;7-8H,1-4H2
InChIKeyVNVORHDYAOGVHE-UHFFFAOYSA-N
XLogP4.15
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-cyclopropylnonyl hexanoate
CID 21445837
5-cyclopropylpentyl tetradecanoate
CID 21445891
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
hexacosyl 2-hydroxyacetate
CID 156789960
heptylcyclohexane;propan-2-one
CID 143570854
13-cyclopropyltridecyl pentanoate
CID 54121613
butyl 4-cyclopentylbutanoate
CID 175866077
CID 87119570
CID 87119570
4-cycloheptylbutyl butanoate
CID 54174835
ethyl acetate;hexylcyclohexane
CID 23285784
9-cyclopropylnonyl butanoate
CID 21445863
dimethyl(oxo)phosphanium;hexylcyclobutane
CID 173138999

Frequently Asked Questions

What is the IUPAC name of dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate?
The IUPAC name of dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate (CID 173106750) is dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate.
What is the SMILES notation for dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate?
The canonical SMILES for dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate is CCCCCCCCCCCCC1CCC1.O=C(CO)OCCOC(=O)CO.
What is the InChIKey of dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate?
The InChIKey is VNVORHDYAOGVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32.C6H10O6/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16;7-3-5(9)11-1-2-12-6(10)4-8/h16H,2-15H2,1H3;7-8H,1-4H2.
What are the key properties of dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate?
dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate has a molecular weight of 402.57 g/mol, XLogP of 4.15, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate is sourced from PubChem (CID 173106750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).