(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate

C12H20O2 — CID 21156163

IUPAC(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate
SMILESC=C(C)C1CCC(C)(OC(C)=O)C1C
InChIInChI=1S/C12H20O2/c1-8(2)11-6-7-12(5,9(11)3)14-10(4)13/h9,11H,1,6-7H2,2-5H3
InChIKeyNKWCOKZUKIEZAR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds2

About (1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate

(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate (PubChem CID 21156163) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate.

Molecular Properties

Compound Name(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate
PubChem CID21156163
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate
SMILESC=C(C)C1CCC(C)(OC(C)=O)C1C
InChIInChI=1S/C12H20O2/c1-8(2)11-6-7-12(5,9(11)3)14-10(4)13/h9,11H,1,6-7H2,2-5H3
InChIKeyNKWCOKZUKIEZAR-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R,3R)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
CID 3086398
[(1R,2S,3S)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
CID 70179053
(1-acetyloxy-2-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate
CID 91573229
(2-acetyl-1-methylcyclopentyl) acetate
CID 12714397
[(1R,2R)-2-hydroxy-1-methylcyclohexyl] acetate
CID 11062866
[(1S,4R,7S,8S)-2,2,4,8-tetramethyl-8-tricyclo[5.3.1.04,11]undecanyl] acetate
CID 91750915
trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
CID 131160822
[(1S,2R,5R,7S,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 98139389
[(1S,2R,5S,7R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 122610127
[(2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 134736182
[(1R,2R,5R,7S,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 927604
[(1R,3aS,8aS)-1-methyl-4-methylidene-2,3,3a,5,6,8a-hexahydroazulen-1-yl] acetate
CID 10585024

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate?
The IUPAC name of (1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate (CID 21156163) is (1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate.
What is the SMILES notation for (1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate?
The canonical SMILES for (1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate is C=C(C)C1CCC(C)(OC(C)=O)C1C.
What is the InChIKey of (1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate?
The InChIKey is NKWCOKZUKIEZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)11-6-7-12(5,9(11)3)14-10(4)13/h9,11H,1,6-7H2,2-5H3.
What are the key properties of (1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate?
(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate has a molecular weight of 196.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate is sourced from PubChem (CID 21156163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).