(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane

C14H28 — CID 156821319

IUPAC(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
SMILESC=C/C=C(C)/C(C)=C/C.CC.CCC
InChIInChI=1S/C9H14.C3H8.C2H6/c1-5-7-9(4)8(3)6-2;1-3-2;1-2/h5-7H,1H2,2-4H3;3H2,1-2H3;1-2H3/b8-6+,9-7+;;
InChIKeyLQCHTNVCFTWEEY-IWBCLEKBSA-N
MW196.38 g/mol
LogP5.53
Rot. Bonds2

About (3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane

(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane (PubChem CID 156821319) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is (3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane.

Molecular Properties

Compound Name(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
PubChem CID156821319
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
SMILESC=C/C=C(C)/C(C)=C/C.CC.CCC
InChIInChI=1S/C9H14.C3H8.C2H6/c1-5-7-9(4)8(3)6-2;1-3-2;1-2/h5-7H,1H2,2-4H3;3H2,1-2H3;1-2H3/b8-6+,9-7+;;
InChIKeyLQCHTNVCFTWEEY-IWBCLEKBSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.53
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

(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
ethane;(3E,5Z)-5-methylhepta-1,3,5-triene-4-thiol
CID 144628766
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane
CID 156721035
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
CID 144917186
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
propane;propan-2-one;prop-1-ene
CID 160807834
(3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane
CID 143695702

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane?
The IUPAC name of (3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane (CID 156821319) is (3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane.
What is the SMILES notation for (3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane?
The canonical SMILES for (3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane is C=C/C=C(C)/C(C)=C/C.CC.CCC.
What is the InChIKey of (3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane?
The InChIKey is LQCHTNVCFTWEEY-IWBCLEKBSA-N. The full InChI is InChI=1S/C9H14.C3H8.C2H6/c1-5-7-9(4)8(3)6-2;1-3-2;1-2/h5-7H,1H2,2-4H3;3H2,1-2H3;1-2H3/b8-6+,9-7+;;.
What are the key properties of (3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane?
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane has a molecular weight of 196.38 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane is sourced from PubChem (CID 156821319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).