ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene

C14H26 — CID 178113371

IUPACethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
SMILESC=C.C=C(C)/C=C\CC(=C)CC.CC
InChIInChI=1S/C10H16.C2H6.C2H4/c1-5-10(4)8-6-7-9(2)3;2*1-2/h6-7H,2,4-5,8H2,1,3H3;1-2H3;1-2H2/b7-6-;;
InChIKeyJAPXWZFIIURDLY-AQTVDGORSA-N
MW194.36 g/mol
LogP5.30
Rot. Bonds4

About ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene

ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene (PubChem CID 178113371) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene.

Molecular Properties

Compound Nameethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
PubChem CID178113371
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Nameethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
SMILESC=C.C=C(C)/C=C\CC(=C)CC.CC
InChIInChI=1S/C10H16.C2H6.C2H4/c1-5-10(4)8-6-7-9(2)3;2*1-2/h6-7H,2,4-5,8H2,1,3H3;1-2H3;1-2H2/b7-6-;;
InChIKeyJAPXWZFIIURDLY-AQTVDGORSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z)-6-methylideneocta-1,3-diene
CID 170732271
2-methylhepta-1,3-diene
CID 54310621
(3E)-2-methylhepta-1,3-diene
CID 12928201
(6E)-6-fluoro-2-methylocta-1,3,6-triene
CID 143501588
ethyl 5-methylhexa-3,5-dienoate
CID 54020800
(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
CID 143233879
ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide
CID 143184494
ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
CID 143724412
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
(3E,6E)-8-ethoxy-2,6-dimethylocta-1,3,6-triene
CID 59055880

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene?
The IUPAC name of ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene (CID 178113371) is ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene.
What is the SMILES notation for ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene?
The canonical SMILES for ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene is C=C.C=C(C)/C=C\CC(=C)CC.CC.
What is the InChIKey of ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene?
The InChIKey is JAPXWZFIIURDLY-AQTVDGORSA-N. The full InChI is InChI=1S/C10H16.C2H6.C2H4/c1-5-10(4)8-6-7-9(2)3;2*1-2/h6-7H,2,4-5,8H2,1,3H3;1-2H3;1-2H2/b7-6-;;.
What are the key properties of ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene?
ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene has a molecular weight of 194.36 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene is sourced from PubChem (CID 178113371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).