ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate

C15H26O4 — CID 102296573

IUPACethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate
SMILESCCOC(=O)C[C@@H]1CCC[C@@H](C)[C@]1(C)C1OCCO1
InChIInChI=1S/C15H26O4/c1-4-17-13(16)10-12-7-5-6-11(2)15(12,3)14-18-8-9-19-14/h11-12,14H,4-10H2,1-3H3/t11-,12+,15+/m1/s1
InChIKeyPNFZLPZVDRNEIU-XUJVJEKNSA-N
MW270.37 g/mol
LogP2.76
Rot. Bonds4

About ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate

ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate (PubChem CID 102296573) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate
PubChem CID102296573
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nameethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate
SMILESCCOC(=O)C[C@@H]1CCC[C@@H](C)[C@]1(C)C1OCCO1
InChIInChI=1S/C15H26O4/c1-4-17-13(16)10-12-7-5-6-11(2)15(12,3)14-18-8-9-19-14/h11-12,14H,4-10H2,1-3H3/t11-,12+,15+/m1/s1
InChIKeyPNFZLPZVDRNEIU-XUJVJEKNSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 6-(7,7-dimethyl-1,4-dioxaspiro[4.5]decan-9-yl)hexanoate
CID 15153642
methyl (1S,2R,5S)-5-(1,3-dioxolan-2-yl)-2-methyl-4-oxocyclohexane-1-carboxylate
CID 23241495
2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetic acid
CID 44603760
1-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]propan-2-one
CID 44603762
methyl 4-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]-3-oxobutanoate
CID 44603819
cis-methyl (2R,5S)-5-(1,3-dioxolan-2-yl)-2-methyl-4-oxocyclohexane-1-carboxylate
CID 134987531
trans-(2S,3S)-2-[2-(1,3-dioxolan-2-yl)ethyl]-3,5,5-trimethylcyclohexan-1-one
CID 16084274
Methyl 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxocyclohexanecarboxylate
CID 18800645
2-(1-Methoxyethoxy)ethyl 4-tert-butylcyclohexane-1-carboxylate
CID 20729092
Methyl 3-[2-(1,3-dioxolan-2-yl)cyclohexyl]propanoate
CID 22282058
3-[2-(1,3-Dioxolan-2-yl)butyl]-4-ethyloxolane-2,5-dione
CID 22898123
ethyl (7S,8R)-7-butyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 53636147

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate?
The IUPAC name of ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate (CID 102296573) is ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate?
The canonical SMILES for ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate is CCOC(=O)C[C@@H]1CCC[C@@H](C)[C@]1(C)C1OCCO1.
What is the InChIKey of ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate?
The InChIKey is PNFZLPZVDRNEIU-XUJVJEKNSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-17-13(16)10-12-7-5-6-11(2)15(12,3)14-18-8-9-19-14/h11-12,14H,4-10H2,1-3H3/t11-,12+,15+/m1/s1.
What are the key properties of ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate?
ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate has a molecular weight of 270.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2S,3R)-2-(1,3-dioxolan-2-yl)-2,3-dimethylcyclohexyl]acetate is sourced from PubChem (CID 102296573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).