[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate

C18H32O3 — CID 12022011

IUPAC[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate
SMILESCC(OC(C)(C)COC(=O)C1CC1)C1CCCC(C)(C)C1
InChIInChI=1S/C18H32O3/c1-13(15-7-6-10-17(2,3)11-15)21-18(4,5)12-20-16(19)14-8-9-14/h13-15H,6-12H2,1-5H3
InChIKeyBZLYOWSSNHNYKW-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.34
Rot. Bonds6

About [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate

[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate (PubChem CID 12022011) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate
PubChem CID12022011
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate
SMILESCC(OC(C)(C)COC(=O)C1CC1)C1CCCC(C)(C)C1
InChIInChI=1S/C18H32O3/c1-13(15-7-6-10-17(2,3)11-15)21-18(4,5)12-20-16(19)14-8-9-14/h13-15H,6-12H2,1-5H3
InChIKeyBZLYOWSSNHNYKW-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate?
The IUPAC name of [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate (CID 12022011) is [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate is CC(OC(C)(C)COC(=O)C1CC1)C1CCCC(C)(C)C1.
What is the InChIKey of [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate?
The InChIKey is BZLYOWSSNHNYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-13(15-7-6-10-17(2,3)11-15)21-18(4,5)12-20-16(19)14-8-9-14/h13-15H,6-12H2,1-5H3.
What are the key properties of [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate?
[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate has a molecular weight of 296.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl] cyclopropanecarboxylate is sourced from PubChem (CID 12022011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).