[2-(cyclohexen-1-yl)cyclohexyl] acetate

C14H22O2 — CID 3098037

IUPAC[2-(cyclohexen-1-yl)cyclohexyl] acetate
SMILESCC(=O)OC1CCCCC1C1=CCCCC1
InChIInChI=1S/C14H22O2/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h7,13-14H,2-6,8-10H2,1H3
InChIKeyDVJZIGACFDKUSN-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.61
Rot. Bonds2

About [2-(cyclohexen-1-yl)cyclohexyl] acetate

[2-(cyclohexen-1-yl)cyclohexyl] acetate (PubChem CID 3098037) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [2-(cyclohexen-1-yl)cyclohexyl] acetate.

Molecular Properties

Compound Name[2-(cyclohexen-1-yl)cyclohexyl] acetate
PubChem CID3098037
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[2-(cyclohexen-1-yl)cyclohexyl] acetate
SMILESCC(=O)OC1CCCCC1C1=CCCCC1
InChIInChI=1S/C14H22O2/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h7,13-14H,2-6,8-10H2,1H3
InChIKeyDVJZIGACFDKUSN-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexen-1-yl)cyclohexyl] acetate?
The IUPAC name of [2-(cyclohexen-1-yl)cyclohexyl] acetate (CID 3098037) is [2-(cyclohexen-1-yl)cyclohexyl] acetate.
What is the SMILES notation for [2-(cyclohexen-1-yl)cyclohexyl] acetate?
The canonical SMILES for [2-(cyclohexen-1-yl)cyclohexyl] acetate is CC(=O)OC1CCCCC1C1=CCCCC1.
What is the InChIKey of [2-(cyclohexen-1-yl)cyclohexyl] acetate?
The InChIKey is DVJZIGACFDKUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h7,13-14H,2-6,8-10H2,1H3.
What are the key properties of [2-(cyclohexen-1-yl)cyclohexyl] acetate?
[2-(cyclohexen-1-yl)cyclohexyl] acetate has a molecular weight of 222.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexen-1-yl)cyclohexyl] acetate is sourced from PubChem (CID 3098037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).