tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate

C15H26O2 — CID 11053722

IUPACtert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate
SMILESC/C(=C\CC1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26O2/c1-12(14(16)17-15(2,3)4)10-11-13-8-6-5-7-9-13/h10,13H,5-9,11H2,1-4H3/b12-10+
InChIKeyKQPHTUKSNSNQNY-ZRDIBKRKSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate

tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate (PubChem CID 11053722) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate
PubChem CID11053722
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nametert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate
SMILESC/C(=C\CC1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26O2/c1-12(14(16)17-15(2,3)4)10-11-13-8-6-5-7-9-13/h10,13H,5-9,11H2,1-4H3/b12-10+
InChIKeyKQPHTUKSNSNQNY-ZRDIBKRKSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
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

methyl 4-cyclooctyl-2-methylbut-2-enoate;methyl 2-(cyclooctylmethyl)prop-2-enoate
CID 175495445
tert-butyl 3-cyclohexyl-2-methylprop-2-enoate;prop-2-enoic acid
CID 174857301
tert-butyl 2-methyl-4-methylsulfanylbut-2-enoate
CID 123693427
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
methyl (E)-6-cyclohexyl-2-methylhex-2-enoate
CID 11790851
tert-butyl 2-cyclooctyl-2-oxoacetate
CID 141407895
tert-butyl 3-cyclohexyl-2-methylprop-2-enoate;tert-butyl 2-cyclohexylprop-2-enoate
CID 155169215
tert-butyl hydrogen carbonate;ethylcycloheptane
CID 175418399
tert-butyl 4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 15503387
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
(2S,3S)-2-amino-3-(cyclohexylmethyl)-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 154154666
methyl (Z)-4-cyclopentyl-2-iodobut-2-enoate
CID 87416854

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate?
The IUPAC name of tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate (CID 11053722) is tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate.
What is the SMILES notation for tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate?
The canonical SMILES for tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate is C/C(=C\CC1CCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate?
The InChIKey is KQPHTUKSNSNQNY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(14(16)17-15(2,3)4)10-11-13-8-6-5-7-9-13/h10,13H,5-9,11H2,1-4H3/b12-10+.
What are the key properties of tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate?
tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate is sourced from PubChem (CID 11053722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).