[(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene

C13H26N2 — CID 176934453

IUPAC[(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene
SMILESC/N=N/C(=C\CCC(C)C)C(C)C.C=C
InChIInChI=1S/C11H22N2.C2H4/c1-9(2)7-6-8-11(10(3)4)13-12-5;1-2/h8-10H,6-7H2,1-5H3;1-2H2/b11-8-,13-12+;
InChIKeyPBXMNKIEVVDKJR-NYFBCZETSA-N
MW210.36 g/mol
LogP4.85
Rot. Bonds5

About [(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene

[(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene (PubChem CID 176934453) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is [(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene.

Molecular Properties

Compound Name[(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene
PubChem CID176934453
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name[(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene
SMILESC/N=N/C(=C\CCC(C)C)C(C)C.C=C
InChIInChI=1S/C11H22N2.C2H4/c1-9(2)7-6-8-11(10(3)4)13-12-5;1-2/h8-10H,6-7H2,1-5H3;1-2H2/b11-8-,13-12+;
InChIKeyPBXMNKIEVVDKJR-NYFBCZETSA-N
XLogP4.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z,9Z)-3,12-di(propan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 20245259
(5E,9E)-3,12-di(propan-2-yl)-1,2-diazacyclododeca-1,5,9-triene
CID 22787992
3,12-Diisopropyl-1,2-diaza-1,5,9 cyclododecatriene
CID 56635899
Dimethyl(6-methylhept-2-en-3-ylimino)azanium
CID 91326574
But-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium
CID 123507402
2-methylpent-1-ene;methyl-[(Z)-pent-2-en-3-yl]diazene
CID 143737800
methyl-[(3Z)-2,5,5-trimethylhepta-3,6-dien-3-yl]diazene
CID 145320881
[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]-methyldiazene
CID 169667917
[(Z)-4-methylpent-2-en-3-yl]-[(Z)-prop-1-enyl]diazene
CID 169930620
3,5-bis(2-methylpropyl)-3H-pyrazole
CID 173078604
ethane;ethyl-[(Z)-4-methylpent-2-en-3-yl]diazene
CID 176660631
methyl-[(Z)-2-methylhex-3-en-3-yl]diazene
CID 176926015

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene?
The IUPAC name of [(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene (CID 176934453) is [(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene.
What is the SMILES notation for [(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene?
The canonical SMILES for [(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene is C/N=N/C(=C\CCC(C)C)C(C)C.C=C.
What is the InChIKey of [(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene?
The InChIKey is PBXMNKIEVVDKJR-NYFBCZETSA-N. The full InChI is InChI=1S/C11H22N2.C2H4/c1-9(2)7-6-8-11(10(3)4)13-12-5;1-2/h8-10H,6-7H2,1-5H3;1-2H2/b11-8-,13-12+;.
What are the key properties of [(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene?
[(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene has a molecular weight of 210.36 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene is sourced from PubChem (CID 176934453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).