[(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate

C11H18O2 — CID 102294891

IUPAC[(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate
SMILESCC[C@@]1(C)C=C(OC(C)=O)CCC1
InChIInChI=1S/C11H18O2/c1-4-11(3)7-5-6-10(8-11)13-9(2)12/h8H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyHPSNRDDUKOZYDD-LLVKDONJSA-N
MW182.26 g/mol
LogP3.03
Rot. Bonds2

About [(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate

[(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate (PubChem CID 102294891) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate.

Molecular Properties

Compound Name[(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate
PubChem CID102294891
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate
SMILESCC[C@@]1(C)C=C(OC(C)=O)CCC1
InChIInChI=1S/C11H18O2/c1-4-11(3)7-5-6-10(8-11)13-9(2)12/h8H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyHPSNRDDUKOZYDD-LLVKDONJSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate?
The IUPAC name of [(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate (CID 102294891) is [(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate.
What is the SMILES notation for [(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate?
The canonical SMILES for [(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate is CC[C@@]1(C)C=C(OC(C)=O)CCC1.
What is the InChIKey of [(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate?
The InChIKey is HPSNRDDUKOZYDD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-11(3)7-5-6-10(8-11)13-9(2)12/h8H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of [(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate?
[(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate has a molecular weight of 182.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-ethyl-3-methylcyclohexen-1-yl] acetate is sourced from PubChem (CID 102294891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).