(3Z)-2,4-dimethylhexa-1,3-diene;ethane

C12H26 — CID 145177084

IUPAC(3Z)-2,4-dimethylhexa-1,3-diene;ethane
SMILESC=C(C)/C=C(/C)CC.CC.CC
InChIInChI=1S/C8H14.2C2H6/c1-5-8(4)6-7(2)3;2*1-2/h6H,2,5H2,1,3-4H3;2*1-2H3/b8-6-;;
InChIKeyQWCFAUQWGXDVML-OTDBEEGXSA-N
MW170.34 g/mol
LogP4.97
Rot. Bonds2

About (3Z)-2,4-dimethylhexa-1,3-diene;ethane

(3Z)-2,4-dimethylhexa-1,3-diene;ethane (PubChem CID 145177084) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is (3Z)-2,4-dimethylhexa-1,3-diene;ethane.

Molecular Properties

Compound Name(3Z)-2,4-dimethylhexa-1,3-diene;ethane
PubChem CID145177084
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name(3Z)-2,4-dimethylhexa-1,3-diene;ethane
SMILESC=C(C)/C=C(/C)CC.CC.CC
InChIInChI=1S/C8H14.2C2H6/c1-5-8(4)6-7(2)3;2*1-2/h6H,2,5H2,1,3-4H3;2*1-2H3/b8-6-;;
InChIKeyQWCFAUQWGXDVML-OTDBEEGXSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.97
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

(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213
ethane;(3E)-4-ethyl-2-methylhepta-1,3-diene
CID 168939588
ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
3,5-dimethylocta-3,5-diene
CID 54471932
ethane;(E)-3-methylpent-2-ene
CID 144523626
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
(Z)-6-fluoro-3,6-dimethyl-5-methylidenehept-3-ene
CID 142164925
(Z)-4-methylhex-3-en-2-one
CID 12930146
(3Z,5Z)-3,5-dimethylhepta-1,3,5-triene;(3E)-2,4-dimethylhexa-1,3-diene;ethane;1,2,4-trimethyl-5-propan-2-ylbenzene
CID 170619798
2-[carboxymethyl-[(2E)-2,4-dimethylpenta-2,4-dienyl]amino]acetic acid
CID 129147798
(3Z,5Z)-4,6-dimethylocta-1,3,5-triene
CID 142052852
ethane;3-methylpent-2-ene;propane
CID 144514263

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,4-dimethylhexa-1,3-diene;ethane?
The IUPAC name of (3Z)-2,4-dimethylhexa-1,3-diene;ethane (CID 145177084) is (3Z)-2,4-dimethylhexa-1,3-diene;ethane.
What is the SMILES notation for (3Z)-2,4-dimethylhexa-1,3-diene;ethane?
The canonical SMILES for (3Z)-2,4-dimethylhexa-1,3-diene;ethane is C=C(C)/C=C(/C)CC.CC.CC.
What is the InChIKey of (3Z)-2,4-dimethylhexa-1,3-diene;ethane?
The InChIKey is QWCFAUQWGXDVML-OTDBEEGXSA-N. The full InChI is InChI=1S/C8H14.2C2H6/c1-5-8(4)6-7(2)3;2*1-2/h6H,2,5H2,1,3-4H3;2*1-2H3/b8-6-;;.
What are the key properties of (3Z)-2,4-dimethylhexa-1,3-diene;ethane?
(3Z)-2,4-dimethylhexa-1,3-diene;ethane has a molecular weight of 170.34 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,4-dimethylhexa-1,3-diene;ethane is sourced from PubChem (CID 145177084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).