ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene

C17H32 — CID 145476448

IUPACethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene
SMILESC=C/C=C\C=C.C=CC(=C)C(C)C.CC.CC
InChIInChI=1S/C7H12.C6H8.2C2H6/c1-5-7(4)6(2)3;1-3-5-6-4-2;2*1-2/h5-6H,1,4H2,2-3H3;3-6H,1-2H2;2*1-2H3/b;6-5-;;
InChIKeyGXIGVJFNEITCKA-IMZIEXLQSA-N
MW236.44 g/mol
LogP6.35
Rot. Bonds4

About ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene

ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene (PubChem CID 145476448) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene.

Molecular Properties

Compound Nameethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene
PubChem CID145476448
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Nameethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene
SMILESC=C/C=C\C=C.C=CC(=C)C(C)C.CC.CC
InChIInChI=1S/C7H12.C6H8.2C2H6/c1-5-7(4)6(2)3;1-3-5-6-4-2;2*1-2/h5-6H,1,4H2,2-3H3;3-6H,1-2H2;2*1-2H3/b;6-5-;;
InChIKeyGXIGVJFNEITCKA-IMZIEXLQSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.35
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

ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
CID 143522614
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide
CID 143199544
ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane
CID 144746794
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
butane;ethane;(3Z,5Z)-hepta-1,3,5-triene;methane;2-methyl-3-methylidenetridecane;nonane
CID 164909919
4-methyl-3,5,6-trimethylideneocta-1,7-diene
CID 59145882
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene?
The IUPAC name of ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene (CID 145476448) is ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene.
What is the SMILES notation for ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene?
The canonical SMILES for ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene is C=C/C=C\C=C.C=CC(=C)C(C)C.CC.CC.
What is the InChIKey of ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene?
The InChIKey is GXIGVJFNEITCKA-IMZIEXLQSA-N. The full InChI is InChI=1S/C7H12.C6H8.2C2H6/c1-5-7(4)6(2)3;1-3-5-6-4-2;2*1-2/h5-6H,1,4H2,2-3H3;3-6H,1-2H2;2*1-2H3/b;6-5-;;.
What are the key properties of ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene?
ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene has a molecular weight of 236.44 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene is sourced from PubChem (CID 145476448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).