(1-prop-1-en-2-ylcyclobutyl)methyl acetate

C10H16O2 — CID 154240293

IUPAC(1-prop-1-en-2-ylcyclobutyl)methyl acetate
SMILESC=C(C)C1(COC(C)=O)CCC1
InChIInChI=1S/C10H16O2/c1-8(2)10(5-4-6-10)7-12-9(3)11/h1,4-7H2,2-3H3
InChIKeyUSTBICIKHOUIOJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About (1-prop-1-en-2-ylcyclobutyl)methyl acetate

(1-prop-1-en-2-ylcyclobutyl)methyl acetate (PubChem CID 154240293) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-prop-1-en-2-ylcyclobutyl)methyl acetate.

Molecular Properties

Compound Name(1-prop-1-en-2-ylcyclobutyl)methyl acetate
PubChem CID154240293
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1-prop-1-en-2-ylcyclobutyl)methyl acetate
SMILESC=C(C)C1(COC(C)=O)CCC1
InChIInChI=1S/C10H16O2/c1-8(2)10(5-4-6-10)7-12-9(3)11/h1,4-7H2,2-3H3
InChIKeyUSTBICIKHOUIOJ-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
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

(1-aminocyclopropyl)methyl acetate
CID 150213578
(1-tert-butylcyclopentyl)methyl acetate
CID 21363579
[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
CID 10490483
[1-(sulfanylmethyl)cyclopropyl]methyl acetate
CID 150919960
(1-tert-butylcyclopropyl)methyl acetate
CID 89402636
(4-acetyloxyoxan-4-yl)methyl acetate
CID 909733
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
(1-prop-1-en-2-ylcyclopentyl) acetate
CID 12721513
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
1-(methoxymethyl)cyclobutane-1-carbohydrazide
CID 120999878
methyl 1-(2-methylprop-2-enyl)cyclopentane-1-carboxylate
CID 123177343
[(1S)-1-hydroxy-4-prop-1-en-2-ylcyclohex-2-en-1-yl]methyl acetate
CID 90382192

Frequently Asked Questions

What is the IUPAC name of (1-prop-1-en-2-ylcyclobutyl)methyl acetate?
The IUPAC name of (1-prop-1-en-2-ylcyclobutyl)methyl acetate (CID 154240293) is (1-prop-1-en-2-ylcyclobutyl)methyl acetate.
What is the SMILES notation for (1-prop-1-en-2-ylcyclobutyl)methyl acetate?
The canonical SMILES for (1-prop-1-en-2-ylcyclobutyl)methyl acetate is C=C(C)C1(COC(C)=O)CCC1.
What is the InChIKey of (1-prop-1-en-2-ylcyclobutyl)methyl acetate?
The InChIKey is USTBICIKHOUIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)10(5-4-6-10)7-12-9(3)11/h1,4-7H2,2-3H3.
What are the key properties of (1-prop-1-en-2-ylcyclobutyl)methyl acetate?
(1-prop-1-en-2-ylcyclobutyl)methyl acetate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-1-en-2-ylcyclobutyl)methyl acetate is sourced from PubChem (CID 154240293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).