3,7-dimethyloct-7-enyl carbamate

C11H21NO2 — CID 174958752

IUPAC3,7-dimethyloct-7-enyl carbamate
SMILESC=C(C)CCCC(C)CCOC(N)=O
InChIInChI=1S/C11H21NO2/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h10H,1,4-8H2,2-3H3,(H2,12,13)
InChIKeyXTKUGWGATMTUSP-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.85
Rot. Bonds7

About 3,7-dimethyloct-7-enyl carbamate

3,7-dimethyloct-7-enyl carbamate (PubChem CID 174958752) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3,7-dimethyloct-7-enyl carbamate.

Molecular Properties

Compound Name3,7-dimethyloct-7-enyl carbamate
PubChem CID174958752
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3,7-dimethyloct-7-enyl carbamate
SMILESC=C(C)CCCC(C)CCOC(N)=O
InChIInChI=1S/C11H21NO2/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h10H,1,4-8H2,2-3H3,(H2,12,13)
InChIKeyXTKUGWGATMTUSP-UHFFFAOYSA-N
XLogP2.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.85
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 3,7-dimethyloct-7-enyl carbamate?
The IUPAC name of 3,7-dimethyloct-7-enyl carbamate (CID 174958752) is 3,7-dimethyloct-7-enyl carbamate.
What is the SMILES notation for 3,7-dimethyloct-7-enyl carbamate?
The canonical SMILES for 3,7-dimethyloct-7-enyl carbamate is C=C(C)CCCC(C)CCOC(N)=O.
What is the InChIKey of 3,7-dimethyloct-7-enyl carbamate?
The InChIKey is XTKUGWGATMTUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h10H,1,4-8H2,2-3H3,(H2,12,13).
What are the key properties of 3,7-dimethyloct-7-enyl carbamate?
3,7-dimethyloct-7-enyl carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-7-enyl carbamate is sourced from PubChem (CID 174958752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).