(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane

C12H24 — CID 143254400

IUPAC(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
SMILESC.C=C/C=C(C)\C(C)=C/C.CC
InChIInChI=1S/C9H14.C2H6.CH4/c1-5-7-9(4)8(3)6-2;1-2;/h5-7H,1H2,2-4H3;1-2H3;1H4/b8-6-,9-7-;;
InChIKeyWTWSAGVILKPYLR-SGBPTPMJSA-N
MW168.32 g/mol
LogP4.75
Rot. Bonds2

About (3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane

(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane (PubChem CID 143254400) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane.

Molecular Properties

Compound Name(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
PubChem CID143254400
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
SMILESC.C=C/C=C(C)\C(C)=C/C.CC
InChIInChI=1S/C9H14.C2H6.CH4/c1-5-7-9(4)8(3)6-2;1-2;/h5-7H,1H2,2-4H3;1-2H3;1H4/b8-6-,9-7-;;
InChIKeyWTWSAGVILKPYLR-SGBPTPMJSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.75
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

(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
ethane;(3E,5Z)-5-methylhepta-1,3,5-triene-4-thiol
CID 144628766
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
CID 144917186
N-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]ethanimine
CID 146259127
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene
CID 143865216
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
(1Z,3Z)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-1-amine
CID 166956993
(3E,5E)-5-methyl-4-(2-methylprop-1-enyl)hepta-1,3,5-triene;2-methylprop-1-ene
CID 145084026
ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate
CID 144601913
buta-1,3-diene;ethane;methane;prop-1-ene
CID 142056054

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane?
The IUPAC name of (3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane (CID 143254400) is (3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane.
What is the SMILES notation for (3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane?
The canonical SMILES for (3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane is C.C=C/C=C(C)\C(C)=C/C.CC.
What is the InChIKey of (3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane?
The InChIKey is WTWSAGVILKPYLR-SGBPTPMJSA-N. The full InChI is InChI=1S/C9H14.C2H6.CH4/c1-5-7-9(4)8(3)6-2;1-2;/h5-7H,1H2,2-4H3;1-2H3;1H4/b8-6-,9-7-;;.
What are the key properties of (3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane?
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane has a molecular weight of 168.32 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane is sourced from PubChem (CID 143254400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).