(5,5-dimethylcyclohexen-1-yl) acetate

C10H16O2 — CID 6428747

IUPAC(5,5-dimethylcyclohexen-1-yl) acetate
SMILESCC(=O)OC1=CCCC(C)(C)C1
InChIInChI=1S/C10H16O2/c1-8(11)12-9-5-4-6-10(2,3)7-9/h5H,4,6-7H2,1-3H3
InChIKeyZCVJWHUHIYWLMG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.64
Rot. Bonds1

About (5,5-dimethylcyclohexen-1-yl) acetate

(5,5-dimethylcyclohexen-1-yl) acetate (PubChem CID 6428747) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5,5-dimethylcyclohexen-1-yl) acetate.

Molecular Properties

Compound Name(5,5-dimethylcyclohexen-1-yl) acetate
PubChem CID6428747
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5,5-dimethylcyclohexen-1-yl) acetate
SMILESCC(=O)OC1=CCCC(C)(C)C1
InChIInChI=1S/C10H16O2/c1-8(11)12-9-5-4-6-10(2,3)7-9/h5H,4,6-7H2,1-3H3
InChIKeyZCVJWHUHIYWLMG-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethylcyclohexen-1-yl) acetate?
The IUPAC name of (5,5-dimethylcyclohexen-1-yl) acetate (CID 6428747) is (5,5-dimethylcyclohexen-1-yl) acetate.
What is the SMILES notation for (5,5-dimethylcyclohexen-1-yl) acetate?
The canonical SMILES for (5,5-dimethylcyclohexen-1-yl) acetate is CC(=O)OC1=CCCC(C)(C)C1.
What is the InChIKey of (5,5-dimethylcyclohexen-1-yl) acetate?
The InChIKey is ZCVJWHUHIYWLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(11)12-9-5-4-6-10(2,3)7-9/h5H,4,6-7H2,1-3H3.
What are the key properties of (5,5-dimethylcyclohexen-1-yl) acetate?
(5,5-dimethylcyclohexen-1-yl) acetate has a molecular weight of 168.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethylcyclohexen-1-yl) acetate is sourced from PubChem (CID 6428747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).