tert-butyl 6-cyclohexylhexa-2,3-dienoate

C16H26O2 — CID 102497420

IUPACtert-butyl 6-cyclohexylhexa-2,3-dienoate
SMILESCC(C)(C)OC(=O)C=C=CCCC1CCCCC1
InChIInChI=1S/C16H26O2/c1-16(2,3)18-15(17)13-9-5-8-12-14-10-6-4-7-11-14/h5,13-14H,4,6-8,10-12H2,1-3H3
InChIKeyLHEPROTVKLRVMF-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.40
Rot. Bonds4

About tert-butyl 6-cyclohexylhexa-2,3-dienoate

tert-butyl 6-cyclohexylhexa-2,3-dienoate (PubChem CID 102497420) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is tert-butyl 6-cyclohexylhexa-2,3-dienoate.

Molecular Properties

Compound Nametert-butyl 6-cyclohexylhexa-2,3-dienoate
PubChem CID102497420
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nametert-butyl 6-cyclohexylhexa-2,3-dienoate
SMILESCC(C)(C)OC(=O)C=C=CCCC1CCCCC1
InChIInChI=1S/C16H26O2/c1-16(2,3)18-15(17)13-9-5-8-12-14-10-6-4-7-11-14/h5,13-14H,4,6-8,10-12H2,1-3H3
InChIKeyLHEPROTVKLRVMF-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.40
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

3-cyclohexylpropyl undeca-2,3-dienoate
CID 174486249
tert-butyl penta-2,3-dienoate
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CID 129050654
tert-butyl [2-cyclohexylethyl(methyl)-λ3-iodanyl]formate
CID 163566033
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
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CID 175418399
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952
tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate
CID 11053722
tert-butyl N-[(2S,3S,4S,5S)-1,6-dicyclohexyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
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tert-butyl 2-(2-cyclohexylethylamino)acetate
CID 60920745
tert-butyl prop-2-enoate;cyclohexanol
CID 135319447
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-cyclohexylhexa-2,3-dienoate?
The IUPAC name of tert-butyl 6-cyclohexylhexa-2,3-dienoate (CID 102497420) is tert-butyl 6-cyclohexylhexa-2,3-dienoate.
What is the SMILES notation for tert-butyl 6-cyclohexylhexa-2,3-dienoate?
The canonical SMILES for tert-butyl 6-cyclohexylhexa-2,3-dienoate is CC(C)(C)OC(=O)C=C=CCCC1CCCCC1.
What is the InChIKey of tert-butyl 6-cyclohexylhexa-2,3-dienoate?
The InChIKey is LHEPROTVKLRVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-16(2,3)18-15(17)13-9-5-8-12-14-10-6-4-7-11-14/h5,13-14H,4,6-8,10-12H2,1-3H3.
What are the key properties of tert-butyl 6-cyclohexylhexa-2,3-dienoate?
tert-butyl 6-cyclohexylhexa-2,3-dienoate has a molecular weight of 250.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-cyclohexylhexa-2,3-dienoate is sourced from PubChem (CID 102497420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).