ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene

C12H20 — CID 145268478

IUPACethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
SMILESC=C/C=C\C(=C)/C(C)=C/C.CC
InChIInChI=1S/C10H14.C2H6/c1-5-7-8-10(4)9(3)6-2;1-2/h5-8H,1,4H2,2-3H3;1-2H3/b8-7-,9-6+;
InChIKeyNAYDZQIXCFLRKR-DAHMJHCMSA-N
MW164.29 g/mol
LogP4.28
Rot. Bonds3

About ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene

ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene (PubChem CID 145268478) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene.

Molecular Properties

Compound Nameethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
PubChem CID145268478
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
SMILESC=C/C=C\C(=C)/C(C)=C/C.CC
InChIInChI=1S/C10H14.C2H6/c1-5-7-8-10(4)9(3)6-2;1-2/h5-8H,1,4H2,2-3H3;1-2H3/b8-7-,9-6+;
InChIKeyNAYDZQIXCFLRKR-DAHMJHCMSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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'}

Analyze ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
(2Z,7Z)-4,6-dimethylidenedeca-2,7,9-trien-5-one;ethane;prop-1-ene
CID 144870179
(3Z,7Z)-2-methoxy-3-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 142839425
N-ethyl-3-methylidenehepta-4,6-dien-2-imine
CID 123979704
2-bromohexa-1,3,5-triene
CID 91549125
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene?
The IUPAC name of ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene (CID 145268478) is ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene.
What is the SMILES notation for ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene?
The canonical SMILES for ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene is C=C/C=C\C(=C)/C(C)=C/C.CC.
What is the InChIKey of ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene?
The InChIKey is NAYDZQIXCFLRKR-DAHMJHCMSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-5-7-8-10(4)9(3)6-2;1-2/h5-8H,1,4H2,2-3H3;1-2H3/b8-7-,9-6+;.
What are the key properties of ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene?
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene has a molecular weight of 164.29 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene is sourced from PubChem (CID 145268478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).