tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate

C16H29NO2 — CID 135045437

IUPACtert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate
SMILESC=C(/C=C/CCCCCC)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO2/c1-6-7-8-9-10-11-12-14(2)13-17-15(18)19-16(3,4)5/h11-12H,2,6-10,13H2,1,3-5H3,(H,17,18)/b12-11+
InChIKeyIGSYLDCTHXSAFJ-VAWYXSNFSA-N
MW267.41 g/mol
LogP4.59
Rot. Bonds8

About tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate

tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate (PubChem CID 135045437) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate
PubChem CID135045437
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nametert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate
SMILESC=C(/C=C/CCCCCC)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO2/c1-6-7-8-9-10-11-12-14(2)13-17-15(18)19-16(3,4)5/h11-12H,2,6-10,13H2,1,3-5H3,(H,17,18)/b12-11+
InChIKeyIGSYLDCTHXSAFJ-VAWYXSNFSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 169032320
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CID 168941348
hexadecyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54136324
tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate
CID 132585355
tert-butyl N-[(3Z,5E)-5-ethylsulfonyl-2-methylidenehepta-3,5-dienyl]carbamate
CID 166689590
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate (CID 135045437) is tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate is C=C(/C=C/CCCCCC)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate?
The InChIKey is IGSYLDCTHXSAFJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H29NO2/c1-6-7-8-9-10-11-12-14(2)13-17-15(18)19-16(3,4)5/h11-12H,2,6-10,13H2,1,3-5H3,(H,17,18)/b12-11+.
What are the key properties of tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate?
tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate has a molecular weight of 267.41 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate is sourced from PubChem (CID 135045437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).