ethane;(3Z)-2-methylhexa-1,3-diene

C9H18 — CID 142130371

IUPACethane;(3Z)-2-methylhexa-1,3-diene
SMILESC=C(C)/C=C\CC.CC
InChIInChI=1S/C7H12.C2H6/c1-4-5-6-7(2)3;1-2/h5-6H,2,4H2,1,3H3;1-2H3/b6-5-;
InChIKeyTUIBHYNPJWPCKG-YSMBQZINSA-N
MW126.24 g/mol
LogP3.55
Rot. Bonds2

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

ethane;(3Z)-2-methylhexa-1,3-diene (PubChem CID 142130371) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is ethane;(3Z)-2-methylhexa-1,3-diene.

Molecular Properties

Compound Nameethane;(3Z)-2-methylhexa-1,3-diene
PubChem CID142130371
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nameethane;(3Z)-2-methylhexa-1,3-diene
SMILESC=C(C)/C=C\CC.CC
InChIInChI=1S/C7H12.C2H6/c1-4-5-6-7(2)3;1-2/h5-6H,2,4H2,1,3H3;1-2H3/b6-5-;
InChIKeyTUIBHYNPJWPCKG-YSMBQZINSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.55
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)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
CID 143724412
2-methylhepta-1,3-diene
CID 54310621
(3E)-2-methylhepta-1,3-diene
CID 12928201
ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
CID 178113371
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
(3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene
CID 137451315
ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
CID 145061785
(2E)-N-ethyl-N,4-dimethylpenta-2,4-dien-1-amine
CID 166796239
(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
CID 143233879

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-2-methylhexa-1,3-diene?
The IUPAC name of ethane;(3Z)-2-methylhexa-1,3-diene (CID 142130371) is ethane;(3Z)-2-methylhexa-1,3-diene.
What is the SMILES notation for ethane;(3Z)-2-methylhexa-1,3-diene?
The canonical SMILES for ethane;(3Z)-2-methylhexa-1,3-diene is C=C(C)/C=C\CC.CC.
What is the InChIKey of ethane;(3Z)-2-methylhexa-1,3-diene?
The InChIKey is TUIBHYNPJWPCKG-YSMBQZINSA-N. The full InChI is InChI=1S/C7H12.C2H6/c1-4-5-6-7(2)3;1-2/h5-6H,2,4H2,1,3H3;1-2H3/b6-5-;.
What are the key properties of ethane;(3Z)-2-methylhexa-1,3-diene?
ethane;(3Z)-2-methylhexa-1,3-diene has a molecular weight of 126.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-methylhexa-1,3-diene is sourced from PubChem (CID 142130371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).