ethane;ethene;(3Z)-2-methylpenta-1,3-diene

C12H26 — CID 143006667

IUPACethane;ethene;(3Z)-2-methylpenta-1,3-diene
SMILESC=C.C=C(C)/C=C\C.CC.CC
InChIInChI=1S/C6H10.2C2H6.C2H4/c1-4-5-6(2)3;3*1-2/h4-5H,2H2,1,3H3;2*1-2H3;1-2H2/b5-4-;;;
InChIKeyNXODGIPJWNEHJT-OAWHIZORSA-N
MW170.34 g/mol
LogP4.99
Rot. Bonds1

About ethane;ethene;(3Z)-2-methylpenta-1,3-diene

ethane;ethene;(3Z)-2-methylpenta-1,3-diene (PubChem CID 143006667) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is ethane;ethene;(3Z)-2-methylpenta-1,3-diene.

Molecular Properties

Compound Nameethane;ethene;(3Z)-2-methylpenta-1,3-diene
PubChem CID143006667
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Nameethane;ethene;(3Z)-2-methylpenta-1,3-diene
SMILESC=C.C=C(C)/C=C\C.CC.CC
InChIInChI=1S/C6H10.2C2H6.C2H4/c1-4-5-6(2)3;3*1-2/h4-5H,2H2,1,3H3;2*1-2H3;1-2H2/b5-4-;;;
InChIKeyNXODGIPJWNEHJT-OAWHIZORSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.99
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-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
2-methylhepta-1,3,5-triene
CID 54571604
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
ethane;(3Z)-penta-1,3-diene-2-thiol
CID 144844063
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604
(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane
CID 143933748
2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene
CID 174661963

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(3Z)-2-methylpenta-1,3-diene?
The IUPAC name of ethane;ethene;(3Z)-2-methylpenta-1,3-diene (CID 143006667) is ethane;ethene;(3Z)-2-methylpenta-1,3-diene.
What is the SMILES notation for ethane;ethene;(3Z)-2-methylpenta-1,3-diene?
The canonical SMILES for ethane;ethene;(3Z)-2-methylpenta-1,3-diene is C=C.C=C(C)/C=C\C.CC.CC.
What is the InChIKey of ethane;ethene;(3Z)-2-methylpenta-1,3-diene?
The InChIKey is NXODGIPJWNEHJT-OAWHIZORSA-N. The full InChI is InChI=1S/C6H10.2C2H6.C2H4/c1-4-5-6(2)3;3*1-2/h4-5H,2H2,1,3H3;2*1-2H3;1-2H2/b5-4-;;;.
What are the key properties of ethane;ethene;(3Z)-2-methylpenta-1,3-diene?
ethane;ethene;(3Z)-2-methylpenta-1,3-diene has a molecular weight of 170.34 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(3Z)-2-methylpenta-1,3-diene is sourced from PubChem (CID 143006667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).