(1-prop-1-en-2-ylcyclopentyl) acetate

C10H16O2 — CID 12721513

IUPAC(1-prop-1-en-2-ylcyclopentyl) acetate
SMILESC=C(C)C1(OC(C)=O)CCCC1
InChIInChI=1S/C10H16O2/c1-8(2)10(12-9(3)11)6-4-5-7-10/h1,4-7H2,2-3H3
InChIKeyJOJDMWDVCILALQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds2

About (1-prop-1-en-2-ylcyclopentyl) acetate

(1-prop-1-en-2-ylcyclopentyl) acetate (PubChem CID 12721513) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-prop-1-en-2-ylcyclopentyl) acetate.

Molecular Properties

Compound Name(1-prop-1-en-2-ylcyclopentyl) acetate
PubChem CID12721513
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1-prop-1-en-2-ylcyclopentyl) acetate
SMILESC=C(C)C1(OC(C)=O)CCCC1
InChIInChI=1S/C10H16O2/c1-8(2)10(12-9(3)11)6-4-5-7-10/h1,4-7H2,2-3H3
InChIKeyJOJDMWDVCILALQ-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
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

[2-oxo-2-(1-prop-1-en-2-ylcyclohexyl)oxyethyl] 2-methylprop-2-enoate
CID 159618515
(1-hydroxycyclooctyl) acetate
CID 91039609
[(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate
CID 10442084
(1-tert-butylcyclopentyl) acetate
CID 58430277
(1-propan-2-ylcyclopentyl) acetate
CID 58143154
(1-methylcyclobutyl) acetate
CID 13396130
1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one
CID 116747766
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
(1-methylcyclohexyl) acetate;propane
CID 143035856
1-(1-methoxycycloheptyl)ethanone
CID 83225564
(1-propa-1,2-dienylcyclooctyl) acetate
CID 102074040
CID 101344483
CID 101344483

Frequently Asked Questions

What is the IUPAC name of (1-prop-1-en-2-ylcyclopentyl) acetate?
The IUPAC name of (1-prop-1-en-2-ylcyclopentyl) acetate (CID 12721513) is (1-prop-1-en-2-ylcyclopentyl) acetate.
What is the SMILES notation for (1-prop-1-en-2-ylcyclopentyl) acetate?
The canonical SMILES for (1-prop-1-en-2-ylcyclopentyl) acetate is C=C(C)C1(OC(C)=O)CCCC1.
What is the InChIKey of (1-prop-1-en-2-ylcyclopentyl) acetate?
The InChIKey is JOJDMWDVCILALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)10(12-9(3)11)6-4-5-7-10/h1,4-7H2,2-3H3.
What are the key properties of (1-prop-1-en-2-ylcyclopentyl) acetate?
(1-prop-1-en-2-ylcyclopentyl) acetate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 2 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-ylcyclopentyl) acetate is sourced from PubChem (CID 12721513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).