6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate

C16H29NO2 — CID 86138659

IUPAC6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate
SMILESCCNC(=O)OC(C)C=CCC(C)CCC=C(C)C
InChIInChI=1S/C16H29NO2/c1-6-17-16(18)19-15(5)12-8-11-14(4)10-7-9-13(2)3/h8-9,12,14-15H,6-7,10-11H2,1-5H3,(H,17,18)
InChIKeyUKBBNDZIQQWNPC-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.45
Rot. Bonds8

About 6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate

6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate (PubChem CID 86138659) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate.

Molecular Properties

Compound Name6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate
PubChem CID86138659
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate
SMILESCCNC(=O)OC(C)C=CCC(C)CCC=C(C)C
InChIInChI=1S/C16H29NO2/c1-6-17-16(18)19-15(5)12-8-11-14(4)10-7-9-13(2)3/h8-9,12,14-15H,6-7,10-11H2,1-5H3,(H,17,18)
InChIKeyUKBBNDZIQQWNPC-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate?
The IUPAC name of 6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate (CID 86138659) is 6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate.
What is the SMILES notation for 6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate?
The canonical SMILES for 6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate is CCNC(=O)OC(C)C=CCC(C)CCC=C(C)C.
What is the InChIKey of 6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate?
The InChIKey is UKBBNDZIQQWNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-6-17-16(18)19-15(5)12-8-11-14(4)10-7-9-13(2)3/h8-9,12,14-15H,6-7,10-11H2,1-5H3,(H,17,18).
What are the key properties of 6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate?
6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate has a molecular weight of 267.41 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethylundeca-3,9-dien-2-yl N-ethylcarbamate is sourced from PubChem (CID 86138659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).