cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

C15H24O4 — CID 66922434

IUPACcyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(=O)OCC1C(C(=O)OC2CCCCC2)C1(C)C
InChIInChI=1S/C15H24O4/c1-10(16)18-9-12-13(15(12,2)3)14(17)19-11-7-5-4-6-8-11/h11-13H,4-9H2,1-3H3
InChIKeyUXHSVDXDIZSRQN-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.70
Rot. Bonds4

About cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 66922434) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID66922434
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namecyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(=O)OCC1C(C(=O)OC2CCCCC2)C1(C)C
InChIInChI=1S/C15H24O4/c1-10(16)18-9-12-13(15(12,2)3)14(17)19-11-7-5-4-6-8-11/h11-13H,4-9H2,1-3H3
InChIKeyUXHSVDXDIZSRQN-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 66922170
cycloheptadecyl acetate
CID 57215828
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
(6-acetyloxycyclodecyl) acetate
CID 539578
lithium;carbanide;cyclohexyl acetate
CID 158677387
cyclohexyl acetate;iodoethane
CID 174262238
cyclohenicosyl 4-acetyloxy-3,3-bis(acetyloxymethyl)butanoate
CID 59092825
cyclooctyl cyclooctanecarboxylate
CID 57160377
cyclobutyloxycarbonyloxymethyl acetate
CID 70141824
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
cyclopropylmethyl acetate
CID 538333

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 66922434) is cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate is CC(=O)OCC1C(C(=O)OC2CCCCC2)C1(C)C.
What is the InChIKey of cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is UXHSVDXDIZSRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-10(16)18-9-12-13(15(12,2)3)14(17)19-11-7-5-4-6-8-11/h11-13H,4-9H2,1-3H3.
What are the key properties of cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 66922434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).