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

C21H46 — CID 162024182

IUPACmethane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene
SMILESC.C/C(=C(\C)C(C)C)C(C)C.CC(C)C(C)C(C)C(C)C
InChIInChI=1S/C10H22.C10H20.CH4/c2*1-7(2)9(5)10(6)8(3)4;/h7-10H,1-6H3;7-8H,1-6H3;1H4/b;10-9-;
InChIKeyYVDMGJCQFOWQBH-MEILSSRFSA-N
MW298.60 g/mol
LogP7.84
Rot. Bonds5

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

methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene (PubChem CID 162024182) has the molecular formula C21H46 and a molecular weight of 298.60 g/mol. Its IUPAC name is methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene.

Molecular Properties

Compound Namemethane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene
PubChem CID162024182
Molecular FormulaC21H46
Molecular Weight298.60 g/mol
Exact Mass298.36
IUPAC Namemethane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene
SMILESC.C/C(=C(\C)C(C)C)C(C)C.CC(C)C(C)C(C)C(C)C
InChIInChI=1S/C10H22.C10H20.CH4/c2*1-7(2)9(5)10(6)8(3)4;/h7-10H,1-6H3;7-8H,1-6H3;1H4/b;10-9-;
InChIKeyYVDMGJCQFOWQBH-MEILSSRFSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.60
LogP ≤ 57.84
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-Trimethylhept-2-ene
CID 22996828
2,3,4,5,6-Pentamethyl-3-heptene
CID 90954370
2,3,4,5-Tetramethylhept-2-ene
CID 123314596
Bicyclo[12.4.0]octadec-1(14)-ene, 16,17-diethyl-, (Z)-
CID 623851
(Z)-2,4,6,7,9,11-hexamethyldodec-6-ene
CID 18601786
2,3,4,5-Tetramethylhex-2-ene
CID 18798564
(E)-3,8-diethyl-2,4,5,9-tetramethyldec-4-ene
CID 20298925
(1Z,5Z)-1,2,3,4,5,6,7,8-octamethylcycloocta-1,5-diene
CID 20400431
4-Ethyl-2,3,5-trimethylhex-2-ene
CID 23385004
2,3-Dimethyl-4-propan-2-ylhept-2-ene
CID 23385021
2,4,6,7,9,11-Hexamethyldodec-6-ene
CID 53840795
2,6-Dimethyl-3,4,5,5-tetra(propan-2-yl)hept-3-ene
CID 53885135

Frequently Asked Questions

What is the IUPAC name of methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene?
The IUPAC name of methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene (CID 162024182) is methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene.
What is the SMILES notation for methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene?
The canonical SMILES for methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene is C.C/C(=C(\C)C(C)C)C(C)C.CC(C)C(C)C(C)C(C)C.
What is the InChIKey of methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene?
The InChIKey is YVDMGJCQFOWQBH-MEILSSRFSA-N. The full InChI is InChI=1S/C10H22.C10H20.CH4/c2*1-7(2)9(5)10(6)8(3)4;/h7-10H,1-6H3;7-8H,1-6H3;1H4/b;10-9-;.
What are the key properties of methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene?
methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene has a molecular weight of 298.60 g/mol, XLogP of 7.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene is sourced from PubChem (CID 162024182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).