(2-prop-1-en-2-ylcyclohexen-1-yl) acetate

C11H16O2 — CID 101216460

IUPAC(2-prop-1-en-2-ylcyclohexen-1-yl) acetate
SMILESC=C(C)C1=C(OC(C)=O)CCCC1
InChIInChI=1S/C11H16O2/c1-8(2)10-6-4-5-7-11(10)13-9(3)12/h1,4-7H2,2-3H3
InChIKeyQNULVAGHLJFBAR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.95
Rot. Bonds2

About (2-prop-1-en-2-ylcyclohexen-1-yl) acetate

(2-prop-1-en-2-ylcyclohexen-1-yl) acetate (PubChem CID 101216460) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2-prop-1-en-2-ylcyclohexen-1-yl) acetate.

Molecular Properties

Compound Name(2-prop-1-en-2-ylcyclohexen-1-yl) acetate
PubChem CID101216460
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2-prop-1-en-2-ylcyclohexen-1-yl) acetate
SMILESC=C(C)C1=C(OC(C)=O)CCCC1
InChIInChI=1S/C11H16O2/c1-8(2)10-6-4-5-7-11(10)13-9(3)12/h1,4-7H2,2-3H3
InChIKeyQNULVAGHLJFBAR-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyloxycyclohexene-1-carboxylic acid
CID 175607129
(5-methyl-2-prop-1-en-2-ylcyclohexen-1-yl) acetate
CID 12729460
(2-acetylcyclohexen-1-yl) hydrogen carbonate
CID 70371183
[2-(diacetylamino)cyclopenten-1-yl] acetate
CID 134935674
1,2,3,5,6,7,8,8a-octahydroazulen-4-yl acetate
CID 539828
[2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate
CID 71368980
(2-acetyl-3-oxocyclohexen-1-yl) acetate
CID 101237580
2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one
CID 141361227
(2-chlorocyclobuten-1-yl) acetate
CID 19887274
1-(3-methylbut-1-en-2-yl)-2-prop-1-en-2-ylcyclopentene
CID 144672215
trimethyl-[1-(2-trimethylsilyloxycyclohexen-1-yl)ethenoxy]silane
CID 11808227
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549

Frequently Asked Questions

What is the IUPAC name of (2-prop-1-en-2-ylcyclohexen-1-yl) acetate?
The IUPAC name of (2-prop-1-en-2-ylcyclohexen-1-yl) acetate (CID 101216460) is (2-prop-1-en-2-ylcyclohexen-1-yl) acetate.
What is the SMILES notation for (2-prop-1-en-2-ylcyclohexen-1-yl) acetate?
The canonical SMILES for (2-prop-1-en-2-ylcyclohexen-1-yl) acetate is C=C(C)C1=C(OC(C)=O)CCCC1.
What is the InChIKey of (2-prop-1-en-2-ylcyclohexen-1-yl) acetate?
The InChIKey is QNULVAGHLJFBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)10-6-4-5-7-11(10)13-9(3)12/h1,4-7H2,2-3H3.
What are the key properties of (2-prop-1-en-2-ylcyclohexen-1-yl) acetate?
(2-prop-1-en-2-ylcyclohexen-1-yl) acetate has a molecular weight of 180.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-1-en-2-ylcyclohexen-1-yl) acetate is sourced from PubChem (CID 101216460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).