1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate

C16H28O2 — CID 146210315

IUPAC1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC1CCC(C)(C)C1(C)C
InChIInChI=1S/C16H28O2/c1-11(2)14(17)18-12(3)10-13-8-9-15(4,5)16(13,6)7/h12-13H,1,8-10H2,2-7H3
InChIKeyLWAPNWMFKIZMLV-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.35
Rot. Bonds4

About 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate

1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 146210315) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate
PubChem CID146210315
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC1CCC(C)(C)C1(C)C
InChIInChI=1S/C16H28O2/c1-11(2)14(17)18-12(3)10-13-8-9-15(4,5)16(13,6)7/h12-13H,1,8-10H2,2-7H3
InChIKeyLWAPNWMFKIZMLV-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate
CID 131968708
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
CID 19386098
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
1-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl 2-methylprop-2-enoate
CID 141470621
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
[2-hydroxy-1-(2-hydroxyethoxy)propyl] 2-methylprop-2-enoate
CID 88729581
trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium
CID 174605040
1-[[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl 2-methylprop-2-enoate
CID 141010947
4-methyl-1-[2-(2-methylprop-2-enoyloxy)propyl]cyclohexane-1,2-dicarboxylic acid
CID 140668581

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate (CID 146210315) is 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CC1CCC(C)(C)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is LWAPNWMFKIZMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-11(2)14(17)18-12(3)10-13-8-9-15(4,5)16(13,6)7/h12-13H,1,8-10H2,2-7H3.
What are the key properties of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate?
1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 252.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 146210315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).