methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate

C12H21NO2 — CID 10656136

IUPACmethyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
SMILESCOC(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H21NO2/c1-10(2)6-5-7-11(3)8-9-13-12(14)15-4/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b11-8+
InChIKeyRRFZUOUFCPJJIK-DHZHZOJOSA-N
MW211.30 g/mol
LogP3.04
Rot. Bonds5

About methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate

methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate (PubChem CID 10656136) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
PubChem CID10656136
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
SMILESCOC(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H21NO2/c1-10(2)6-5-7-11(3)8-9-13-12(14)15-4/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b11-8+
InChIKeyRRFZUOUFCPJJIK-DHZHZOJOSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.04
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

N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
prop-2-ynyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895243
N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
CID 71441350
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
CID 11521413
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide;methane;methyl 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-oxoacetate
CID 158673741
3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
CID 10362671
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(2E,6E)-1-methoxy-3,7,11-trimethyldodeca-2,6,10-triene;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 143996677

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
The IUPAC name of methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate (CID 10656136) is methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate.
What is the SMILES notation for methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
The canonical SMILES for methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate is COC(=O)NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
The InChIKey is RRFZUOUFCPJJIK-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)6-5-7-11(3)8-9-13-12(14)15-4/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b11-8+.
What are the key properties of methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate has a molecular weight of 211.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate is sourced from PubChem (CID 10656136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).