tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate

C18H33NO2 — CID 14212989

IUPACtert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate
SMILESCC(C)/C=C/C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO2/c1-14(2)11-12-16(13-15-9-7-6-8-10-15)19-17(20)21-18(3,4)5/h11-12,14-16H,6-10,13H2,1-5H3,(H,19,20)/b12-11+
InChIKeyIQDALHRZLRZXRM-VAWYXSNFSA-N
MW295.47 g/mol
LogP5.06
Rot. Bonds5

About tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate

tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate (PubChem CID 14212989) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate
PubChem CID14212989
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Nametert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate
SMILESCC(C)/C=C/C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO2/c1-14(2)11-12-16(13-15-9-7-6-8-10-15)19-17(20)21-18(3,4)5/h11-12,14-16H,6-10,13H2,1-5H3,(H,19,20)/b12-11+
InChIKeyIQDALHRZLRZXRM-VAWYXSNFSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-(2-cyclopent-2-en-1-ylethyl)carbamate
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tert-butyl N-(1-cyclohexylbut-3-enyl)carbamate
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tert-butyl N-[(E,1R,2S)-2-azido-4-cyano-1-cyclohexylbut-3-enyl]carbamate
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tert-butyl N-[(1R)-1-cyclohexylprop-2-enyl]carbamate
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tert-butyl N-[5-(1,3-dimethylcyclohex-3-en-1-yl)pentyl]carbamate
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tert-butyl N-[(1R)-1-(cyclohexen-1-yl)-3-methylbut-3-enyl]carbamate
CID 178251143
tert-butyl N-[(1R)-1-cyclohexyl-3-methylbut-3-enyl]carbamate
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tert-butyl N-[4-amino-5-(trifluoromethyl)cyclohex-2-en-1-yl]carbamate
CID 162589201

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate (CID 14212989) is tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate is CC(C)/C=C/C(CC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate?
The InChIKey is IQDALHRZLRZXRM-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H33NO2/c1-14(2)11-12-16(13-15-9-7-6-8-10-15)19-17(20)21-18(3,4)5/h11-12,14-16H,6-10,13H2,1-5H3,(H,19,20)/b12-11+.
What are the key properties of tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate?
tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate has a molecular weight of 295.47 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-1-cyclohexyl-5-methylhex-3-en-2-yl]carbamate is sourced from PubChem (CID 14212989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).