methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene

C21H44 — CID 161097810

IUPACmethane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
SMILESC.C/C(=C(/C)C(C)C)C(C)C.C/C(=C(\C)C(C)C)C(C)C
InChIInChI=1S/2C10H20.CH4/c2*1-7(2)9(5)10(6)8(3)4;/h2*7-8H,1-6H3;1H4/b10-9+;10-9-;
InChIKeyUIAGFUPOYHMWSH-HUGPZQPHSA-N
MW296.58 g/mol
LogP7.91
Rot. Bonds4

About methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene

methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene (PubChem CID 161097810) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene.

Molecular Properties

Compound Namemethane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
PubChem CID161097810
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Namemethane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
SMILESC.C/C(=C(/C)C(C)C)C(C)C.C/C(=C(\C)C(C)C)C(C)C
InChIInChI=1S/2C10H20.CH4/c2*1-7(2)9(5)10(6)8(3)4;/h2*7-8H,1-6H3;1H4/b10-9+;10-9-;
InChIKeyUIAGFUPOYHMWSH-HUGPZQPHSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.91
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;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene
CID 162024182
2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
CID 123882095
2,3,4-trimethylpent-2-ene
CID 11270
(Z)-3,4-dimethylpent-2-ene-2-thiol
CID 176996545
(4E)-2,3,4,5,6-pentamethylhepta-2,4-diene
CID 161401294
(Z)-N,3,4-trimethylpent-2-en-2-amine
CID 59961887
(Z)-2,3,4-trimethylpent-2-enoic acid
CID 59976239
2,4,5,6-tetramethylhept-4-en-3-one
CID 159203948
(3E)-2,4,5-trimethylhexa-1,3-dien-3-ol
CID 144743244
2,3,4,5,5,6-hexamethylhept-3-ene
CID 72591969
CID 155672770
CID 155672770
[(Z)-3,4-dimethylpent-2-en-2-yl]oxy-trimethylsilane
CID 134988122

Frequently Asked Questions

What is the IUPAC name of methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene?
The IUPAC name of methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene (CID 161097810) is methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene.
What is the SMILES notation for methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene?
The canonical SMILES for methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene is C.C/C(=C(/C)C(C)C)C(C)C.C/C(=C(\C)C(C)C)C(C)C.
What is the InChIKey of methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene?
The InChIKey is UIAGFUPOYHMWSH-HUGPZQPHSA-N. The full InChI is InChI=1S/2C10H20.CH4/c2*1-7(2)9(5)10(6)8(3)4;/h2*7-8H,1-6H3;1H4/b10-9+;10-9-;.
What are the key properties of methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene?
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene has a molecular weight of 296.58 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene is sourced from PubChem (CID 161097810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).