(1-propan-2-ylcyclopentyl) acetate

C10H18O2 — CID 58143154

IUPAC(1-propan-2-ylcyclopentyl) acetate
SMILESCC(=O)OC1(C(C)C)CCCC1
InChIInChI=1S/C10H18O2/c1-8(2)10(12-9(3)11)6-4-5-7-10/h8H,4-7H2,1-3H3
InChIKeyHKWPAJSYRPRWOI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds2

About (1-propan-2-ylcyclopentyl) acetate

(1-propan-2-ylcyclopentyl) acetate (PubChem CID 58143154) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl) acetate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopentyl) acetate
PubChem CID58143154
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1-propan-2-ylcyclopentyl) acetate
SMILESCC(=O)OC1(C(C)C)CCCC1
InChIInChI=1S/C10H18O2/c1-8(2)10(12-9(3)11)6-4-5-7-10/h8H,4-7H2,1-3H3
InChIKeyHKWPAJSYRPRWOI-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propan-2-ylcycloheptyl) 2-cyclopropylidenepropanoate
CID 91415677
(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
2-methyl-3-oxo-3-(1-propan-2-ylcyclohexyl)oxypropanoic acid
CID 170442818
(1-hydroxycyclooctyl) acetate
CID 91039609
(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
CID 21049876
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
(1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate
CID 170530086
[2,3-dioxo-3-(1-propan-2-ylcyclohexyl)oxypropyl] 2-methylprop-2-enoate
CID 118503796
(1-propan-2-ylcyclopentyl) 2-tert-butyl-2,4,4-trimethylpentanoate
CID 118518723
(2,5-dimethyl-4-oxohexan-3-yl) 2-(1-acetyloxycyclohexyl)-2-aminoacetate
CID 91408337
CID 163674999
CID 163674999
3-(1-propan-2-ylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 141262283

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopentyl) acetate?
The IUPAC name of (1-propan-2-ylcyclopentyl) acetate (CID 58143154) is (1-propan-2-ylcyclopentyl) acetate.
What is the SMILES notation for (1-propan-2-ylcyclopentyl) acetate?
The canonical SMILES for (1-propan-2-ylcyclopentyl) acetate is CC(=O)OC1(C(C)C)CCCC1.
What is the InChIKey of (1-propan-2-ylcyclopentyl) acetate?
The InChIKey is HKWPAJSYRPRWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)10(12-9(3)11)6-4-5-7-10/h8H,4-7H2,1-3H3.
What are the key properties of (1-propan-2-ylcyclopentyl) acetate?
(1-propan-2-ylcyclopentyl) acetate has a molecular weight of 170.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclopentyl) acetate is sourced from PubChem (CID 58143154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).