ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene

C12H20 — CID 142891665

IUPACethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene
SMILESC=C/C=C\C/C(C)=C\C=C.CC
InChIInChI=1S/C10H14.C2H6/c1-4-6-7-9-10(3)8-5-2;1-2/h4-8H,1-2,9H2,3H3;1-2H3/b7-6-,10-8-;
InChIKeyOJYNKXLVPQDOTG-GOKMCMDNSA-N
MW164.29 g/mol
LogP4.28
Rot. Bonds4

About ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene

ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene (PubChem CID 142891665) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene.

Molecular Properties

Compound Nameethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene
PubChem CID142891665
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene
SMILESC=C/C=C\C/C(C)=C\C=C.CC
InChIInChI=1S/C10H14.C2H6/c1-4-6-7-9-10(3)8-5-2;1-2/h4-8H,1-2,9H2,3H3;1-2H3/b7-6-,10-8-;
InChIKeyOJYNKXLVPQDOTG-GOKMCMDNSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butane;ethane;(4Z)-hepta-4,6-dien-2-one
CID 142062116
(3Z)-6-methylideneocta-1,3-diene
CID 170732271
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
(3Z)-7-chloro-4-methylhepta-1,3-diene
CID 130195022
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
4,6-dimethylocta-1,3,6-triene
CID 59970849
(3Z)-N-methylhexa-3,5-dienamide
CID 90245827
(3Z,6Z)-7-methylnona-1,3,6-triene
CID 143723306
(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226074
(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129
dimethyl 2-[(3E)-3-methylhexa-3,5-dienyl]-2-[(2E)-penta-2,4-dienyl]propanedioate
CID 102314061

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene?
The IUPAC name of ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene (CID 142891665) is ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene.
What is the SMILES notation for ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene?
The canonical SMILES for ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene is C=C/C=C\C/C(C)=C\C=C.CC.
What is the InChIKey of ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene?
The InChIKey is OJYNKXLVPQDOTG-GOKMCMDNSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-4-6-7-9-10(3)8-5-2;1-2/h4-8H,1-2,9H2,3H3;1-2H3/b7-6-,10-8-;.
What are the key properties of ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene?
ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene has a molecular weight of 164.29 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene is sourced from PubChem (CID 142891665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).