butane;(E)-3,4-dimethylhex-3-ene

C12H26 — CID 142971794

IUPACbutane;(E)-3,4-dimethylhex-3-ene
SMILESCC/C(C)=C(\C)CC.CCCC
InChIInChI=1S/C8H16.C4H10/c1-5-7(3)8(4)6-2;1-3-4-2/h5-6H2,1-4H3;3-4H2,1-2H3/b8-7+;
InChIKeyVBCXYSVRIZGKGE-USRGLUTNSA-N
MW170.34 g/mol
LogP4.95
Rot. Bonds3

About butane;(E)-3,4-dimethylhex-3-ene

butane;(E)-3,4-dimethylhex-3-ene (PubChem CID 142971794) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is butane;(E)-3,4-dimethylhex-3-ene.

Molecular Properties

Compound Namebutane;(E)-3,4-dimethylhex-3-ene
PubChem CID142971794
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namebutane;(E)-3,4-dimethylhex-3-ene
SMILESCC/C(C)=C(\C)CC.CCCC
InChIInChI=1S/C8H16.C4H10/c1-5-7(3)8(4)6-2;1-3-4-2/h5-6H2,1-4H3;3-4H2,1-2H3/b8-7+;
InChIKeyVBCXYSVRIZGKGE-USRGLUTNSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-Trimethylpent-2-ene
CID 11270
2,3-Dimethyl-2-hexene
CID 23528
2,3-Dimethyl-2-pentene
CID 25403
(E)-3,4-Dimethylhex-3-ene
CID 3034312
2,6-Dimethyl-2,5-heptadiene
CID 521945
3,4-Diethyl-3-hexene
CID 136668
2-Heptene, 2,3-dimethyl-
CID 137816
3-Ethyl-2-methyl-2-pentene
CID 140592
(Z)-3,4-dimethylhex-3-ene
CID 3034311
3-Hexene, 2,3,4,5-tetramethyl-, (Z)-
CID 3036382
3-Hexene, 3-ethyl-4-methyl-
CID 142781
(E)-2,3-Di-tert-butyl-2-butene
CID 638064

Frequently Asked Questions

What is the IUPAC name of butane;(E)-3,4-dimethylhex-3-ene?
The IUPAC name of butane;(E)-3,4-dimethylhex-3-ene (CID 142971794) is butane;(E)-3,4-dimethylhex-3-ene.
What is the SMILES notation for butane;(E)-3,4-dimethylhex-3-ene?
The canonical SMILES for butane;(E)-3,4-dimethylhex-3-ene is CC/C(C)=C(\C)CC.CCCC.
What is the InChIKey of butane;(E)-3,4-dimethylhex-3-ene?
The InChIKey is VBCXYSVRIZGKGE-USRGLUTNSA-N. The full InChI is InChI=1S/C8H16.C4H10/c1-5-7(3)8(4)6-2;1-3-4-2/h5-6H2,1-4H3;3-4H2,1-2H3/b8-7+;.
What are the key properties of butane;(E)-3,4-dimethylhex-3-ene?
butane;(E)-3,4-dimethylhex-3-ene has a molecular weight of 170.34 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(E)-3,4-dimethylhex-3-ene is sourced from PubChem (CID 142971794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).