tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane

C18H33NO2 — CID 143364378

IUPACtert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane
SMILESC=C/C=C\C(=C)CC(CCC)NC(=O)OC(C)(C)C.CC
InChIInChI=1S/C16H27NO2.C2H6/c1-7-9-11-13(3)12-14(10-8-2)17-15(18)19-16(4,5)6;1-2/h7,9,11,14H,1,3,8,10,12H2,2,4-6H3,(H,17,18);1-2H3/b11-9-;
InChIKeyFZHYZZYNWAAZIQ-KSIDEHCFSA-N
MW295.47 g/mol
LogP5.39
Rot. Bonds7

About tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane

tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane (PubChem CID 143364378) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane
PubChem CID143364378
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Nametert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane
SMILESC=C/C=C\C(=C)CC(CCC)NC(=O)OC(C)(C)C.CC
InChIInChI=1S/C16H27NO2.C2H6/c1-7-9-11-13(3)12-14(10-8-2)17-15(18)19-16(4,5)6;1-2/h7,9,11,14H,1,3,8,10,12H2,2,4-6H3,(H,17,18);1-2H3/b11-9-;
InChIKeyFZHYZZYNWAAZIQ-KSIDEHCFSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[6-(tert-butoxycarbonylamino)cyclohex-3-en-1-yl]carbamate
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tert-butyl N-(4-ethenylhexa-3,5-dienyl)carbamate
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di-tert-butyl ((1S,2S)-cyclohex-4-ene-1,2-diyl)dicarbamate
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(R)-4-(Boc-amino)cyclohexene
CID 66696471
tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate
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tert-butyl N-[5-(aminomethyl)-6-fluorocyclohexa-2,4-dien-1-yl]carbamate
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Carbamic acid, (1R,2R)-4-cyclohexene-1,2-diylbis-, bis(1,1-dimethylethyl) ester
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tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate
CID 45092400
tert-butyl N-(2-methylpentadec-2-en-5-yl)carbamate
CID 14952108

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane?
The IUPAC name of tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane (CID 143364378) is tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane is C=C/C=C\C(=C)CC(CCC)NC(=O)OC(C)(C)C.CC.
What is the InChIKey of tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane?
The InChIKey is FZHYZZYNWAAZIQ-KSIDEHCFSA-N. The full InChI is InChI=1S/C16H27NO2.C2H6/c1-7-9-11-13(3)12-14(10-8-2)17-15(18)19-16(4,5)6;1-2/h7,9,11,14H,1,3,8,10,12H2,2,4-6H3,(H,17,18);1-2H3/b11-9-;.
What are the key properties of tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane?
tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane has a molecular weight of 295.47 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(7Z)-6-methylidenedeca-7,9-dien-4-yl]carbamate;ethane is sourced from PubChem (CID 143364378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).