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

C28H66 — CID 162269346

IUPACbutane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene
SMILESC.C.C.C.CC(C)(C)/C=C\C(C)(C)C.CC(C)(C)C=CC(C)(C)C.CCCC
InChIInChI=1S/2C10H20.C4H10.4CH4/c2*1-9(2,3)7-8-10(4,5)6;1-3-4-2;;;;/h2*7-8H,1-6H3;3-4H2,1-2H3;4*1H4/b8-7-;;;;;;
InChIKeyWUGYALOLRHYISW-VWOJYCKBSA-N
MW402.84 g/mol
LogP11.62
Rot. Bonds1

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

butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene (PubChem CID 162269346) has the molecular formula C28H66 and a molecular weight of 402.84 g/mol. Its IUPAC name is butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene.

Molecular Properties

Compound Namebutane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene
PubChem CID162269346
Molecular FormulaC28H66
Molecular Weight402.84 g/mol
Exact Mass402.52
IUPAC Namebutane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene
SMILESC.C.C.C.CC(C)(C)/C=C\C(C)(C)C.CC(C)(C)C=CC(C)(C)C.CCCC
InChIInChI=1S/2C10H20.C4H10.4CH4/c2*1-9(2,3)7-8-10(4,5)6;1-3-4-2;;;;/h2*7-8H,1-6H3;3-4H2,1-2H3;4*1H4/b8-7-;;;;;;
InChIKeyWUGYALOLRHYISW-VWOJYCKBSA-N
XLogP11.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.84
LogP ≤ 511.62
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

2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
(E)-2,2-dimethylhept-3-ene
CID 5352650
butane;methane
CID 169432073
butane;methane
CID 158764755
butane;methane
CID 158881067
butane;methane
CID 161323740
(E)-2,2-dimethylhex-3-ene
CID 5357261
butane;ethane;methane
CID 162200509
butane;chloromethane
CID 23360987
(E)-2,5,5-trimethylhex-3-en-2-amine
CID 166660813
(E)-2-chloro-2,5,5-trimethylhex-3-ene
CID 118583254

Frequently Asked Questions

What is the IUPAC name of butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene?
The IUPAC name of butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene (CID 162269346) is butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene.
What is the SMILES notation for butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene?
The canonical SMILES for butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene is C.C.C.C.CC(C)(C)/C=C\C(C)(C)C.CC(C)(C)C=CC(C)(C)C.CCCC.
What is the InChIKey of butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene?
The InChIKey is WUGYALOLRHYISW-VWOJYCKBSA-N. The full InChI is InChI=1S/2C10H20.C4H10.4CH4/c2*1-9(2,3)7-8-10(4,5)6;1-3-4-2;;;;/h2*7-8H,1-6H3;3-4H2,1-2H3;4*1H4/b8-7-;;;;;;.
What are the key properties of butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene?
butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene has a molecular weight of 402.84 g/mol, XLogP of 11.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene is sourced from PubChem (CID 162269346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).