methane;(E)-3-methylhex-3-ene

C8H18 — CID 157350431

IUPACmethane;(E)-3-methylhex-3-ene
SMILESC.CC/C=C(\C)CC
InChIInChI=1S/C7H14.CH4/c1-4-6-7(3)5-2;/h6H,4-5H2,1-3H3;1H4/b7-6+;
InChIKeyBHLREIYIMDVVIS-UHDJGPCESA-N
MW114.23 g/mol
LogP3.39
Rot. Bonds2

About methane;(E)-3-methylhex-3-ene

methane;(E)-3-methylhex-3-ene (PubChem CID 157350431) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is methane;(E)-3-methylhex-3-ene.

Molecular Properties

Compound Namemethane;(E)-3-methylhex-3-ene
PubChem CID157350431
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Namemethane;(E)-3-methylhex-3-ene
SMILESC.CC/C=C(\C)CC
InChIInChI=1S/C7H14.CH4/c1-4-6-7(3)5-2;/h6H,4-5H2,1-3H3;1H4/b7-6+;
InChIKeyBHLREIYIMDVVIS-UHDJGPCESA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.23
LogP ≤ 53.39
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

methane;(Z)-3-methylhex-3-ene
CID 168892321
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
3-methylpent-2-en-1-amine
CID 76997051
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene
CID 157050513
3,5-dimethylocta-3,5-diene
CID 54471932
(2Z,6E)-2-iodo-6-methylnona-2,6-diene
CID 122625935
ethane;(5Z)-5-methylocta-1,5-diene
CID 155705867
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
4-methyloct-3-ene
CID 85445337
(E)-4-methylhex-3-en-1-amine
CID 63969892

Frequently Asked Questions

What is the IUPAC name of methane;(E)-3-methylhex-3-ene?
The IUPAC name of methane;(E)-3-methylhex-3-ene (CID 157350431) is methane;(E)-3-methylhex-3-ene.
What is the SMILES notation for methane;(E)-3-methylhex-3-ene?
The canonical SMILES for methane;(E)-3-methylhex-3-ene is C.CC/C=C(\C)CC.
What is the InChIKey of methane;(E)-3-methylhex-3-ene?
The InChIKey is BHLREIYIMDVVIS-UHDJGPCESA-N. The full InChI is InChI=1S/C7H14.CH4/c1-4-6-7(3)5-2;/h6H,4-5H2,1-3H3;1H4/b7-6+;.
What are the key properties of methane;(E)-3-methylhex-3-ene?
methane;(E)-3-methylhex-3-ene has a molecular weight of 114.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(E)-3-methylhex-3-ene is sourced from PubChem (CID 157350431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).