[3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane

C16H28O3 — CID 144690774

IUPAC[3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane
SMILESC=C(C)C(=O)OCCC(=O)C1(C)CCCC1.CCC
InChIInChI=1S/C13H20O3.C3H8/c1-10(2)12(15)16-9-6-11(14)13(3)7-4-5-8-13;1-3-2/h1,4-9H2,2-3H3;3H2,1-2H3
InChIKeyAZXPPOLSGDNUSC-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.06
Rot. Bonds5

About [3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane

[3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane (PubChem CID 144690774) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is [3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane.

Molecular Properties

Compound Name[3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane
PubChem CID144690774
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name[3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane
SMILESC=C(C)C(=O)OCCC(=O)C1(C)CCCC1.CCC
InChIInChI=1S/C13H20O3.C3H8/c1-10(2)12(15)16-9-6-11(14)13(3)7-4-5-8-13;1-3-2/h1,4-9H2,2-3H3;3H2,1-2H3
InChIKeyAZXPPOLSGDNUSC-UHFFFAOYSA-N
XLogP4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(1-methylcyclohexyl)-2-oxoethyl] 2-methylprop-2-enoate
CID 68781991
(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
CID 18739125
oxolane;propyl 2-methylprop-2-enoate
CID 175153553
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[(1-methylcyclopentyl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118257839
2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate
CID 66606377
azane;propyl 2-methylprop-2-enoate
CID 172812841
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527
1-[4-(2-methylprop-2-enoyloxy)butoxycarbonyl]cyclohexane-1-carboxylic acid
CID 141441045
3,5-dioxohexyl 2-methylprop-2-enoate
CID 22149505

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane?
The IUPAC name of [3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane (CID 144690774) is [3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane.
What is the SMILES notation for [3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane?
The canonical SMILES for [3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane is C=C(C)C(=O)OCCC(=O)C1(C)CCCC1.CCC.
What is the InChIKey of [3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane?
The InChIKey is AZXPPOLSGDNUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3.C3H8/c1-10(2)12(15)16-9-6-11(14)13(3)7-4-5-8-13;1-3-2/h1,4-9H2,2-3H3;3H2,1-2H3.
What are the key properties of [3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane?
[3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane has a molecular weight of 268.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane is sourced from PubChem (CID 144690774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).