3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one

C16H26O4 — CID 10265806

IUPAC3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
SMILESCC1(C)OC[C@H]([C@@H](C2CCCCC2)C2CCOC2=O)O1
InChIInChI=1S/C16H26O4/c1-16(2)19-10-13(20-16)14(11-6-4-3-5-7-11)12-8-9-18-15(12)17/h11-14H,3-10H2,1-2H3/t12?,13-,14+/m1/s1
InChIKeyGPRKQIHSQXGNST-IUZLNWEFSA-N
MW282.38 g/mol
LogP2.90
Rot. Bonds3

About 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one

3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one (PubChem CID 10265806) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
PubChem CID10265806
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
SMILESCC1(C)OC[C@H]([C@@H](C2CCCCC2)C2CCOC2=O)O1
InChIInChI=1S/C16H26O4/c1-16(2)19-10-13(20-16)14(11-6-4-3-5-7-11)12-8-9-18-15(12)17/h11-14H,3-10H2,1-2H3/t12?,13-,14+/m1/s1
InChIKeyGPRKQIHSQXGNST-IUZLNWEFSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

[2-Acetyloxy-3-(5-decyl-2-oxooxolan-3-yl)propyl] acetate
CID 162911237
5-Decyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one
CID 162929241
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]acetate
CID 11506757
1,2-Cyclohexanedicarboxylic acid, difurfuryl ester
CID 58612913
2,2-Dimethylhexahydrofuro[3,4-f][1,3]benzodioxol-5(3aH)-one
CID 369600
Methyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)acetate
CID 67511443
(2S,2'R,2''R,3''S,5'S,5''R)-5''-((7S,8S,10R)-8,10-dimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl)-5'-ethyl-2,3''-dimethyldecahydro-[2,2':5',2''-terfuran]-5(2H)-one
CID 14163852
3-[(5R,8R,10R)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-2-oxo-1,3,9-trioxaspiro[4.5]decan-10-yl]propanal
CID 53360796
Tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate
CID 85424235
(3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one
CID 134844320
Tert-butyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-3-methylbutanoate
CID 135011234
Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate
CID 135038986

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one?
The IUPAC name of 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one (CID 10265806) is 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one.
What is the SMILES notation for 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one?
The canonical SMILES for 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one is CC1(C)OC[C@H]([C@@H](C2CCCCC2)C2CCOC2=O)O1.
What is the InChIKey of 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one?
The InChIKey is GPRKQIHSQXGNST-IUZLNWEFSA-N. The full InChI is InChI=1S/C16H26O4/c1-16(2)19-10-13(20-16)14(11-6-4-3-5-7-11)12-8-9-18-15(12)17/h11-14H,3-10H2,1-2H3/t12?,13-,14+/m1/s1.
What are the key properties of 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one?
3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one has a molecular weight of 282.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one is sourced from PubChem (CID 10265806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).