[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate

C18H31NO2 — CID 10637503

IUPAC[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate
SMILESCCNC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H31NO2/c1-6-19-18(20)21-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3,(H,19,20)/b16-11+,17-13+
InChIKeyOFGVSIKSUXKQQH-IUBLYSDUSA-N
MW293.45 g/mol
LogP5.15
Rot. Bonds9

About [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate (PubChem CID 10637503) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate.

Molecular Properties

Compound Name[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate
PubChem CID10637503
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate
SMILESCCNC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H31NO2/c1-6-19-18(20)21-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3,(H,19,20)/b16-11+,17-13+
InChIKeyOFGVSIKSUXKQQH-IUBLYSDUSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate with MolForge

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Related Compounds

[(2E)-3,7-dimethylocta-2,6-dienyl] N-ethylcarbamate
CID 10751679
2-fluoroethyl N-[(2Z)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895171
2-fluoroethyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895188
2-fluoroethyl N-(3,7-dimethylocta-2,6-dienyl)carbamate
CID 72455949
Geraniol N-methylcarbamate
CID 154734505
[(3E)-6,10-dimethylundeca-3,9-dien-2-yl] N-ethylcarbamate
CID 13588615
3,7-dimethylocta-2,6-dienyl N-(2-oxoethyl)carbamate
CID 54005583
4-ethylhexa-2,4-dienyl N-ethylcarbamate
CID 54121747
3,7,11-trimethyldodeca-2,6,10-trienyl N-ethylcarbamate
CID 54147271
3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate
CID 54405245
propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895166
propyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895173

Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate?
The IUPAC name of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate (CID 10637503) is [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate.
What is the SMILES notation for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate?
The canonical SMILES for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate is CCNC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate?
The InChIKey is OFGVSIKSUXKQQH-IUBLYSDUSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-19-18(20)21-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3,(H,19,20)/b16-11+,17-13+.
What are the key properties of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate?
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate has a molecular weight of 293.45 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate is sourced from PubChem (CID 10637503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).