methane;1-methyl-3-methylidenecyclohexene;toluene

C16H24 — CID 170763882

IUPACmethane;1-methyl-3-methylidenecyclohexene;toluene
SMILESC.C=C1C=C(C)CCC1.Cc1ccccc1
InChIInChI=1S/C8H12.C7H8.CH4/c1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;/h6H,1,3-5H2,2H3;2-6H,1H3;1H4
InChIKeyWHQWASDEWDJTAN-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.30
Rot. Bonds

About methane;1-methyl-3-methylidenecyclohexene;toluene

methane;1-methyl-3-methylidenecyclohexene;toluene (PubChem CID 170763882) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is methane;1-methyl-3-methylidenecyclohexene;toluene.

Molecular Properties

Compound Namemethane;1-methyl-3-methylidenecyclohexene;toluene
PubChem CID170763882
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Namemethane;1-methyl-3-methylidenecyclohexene;toluene
SMILESC.C=C1C=C(C)CCC1.Cc1ccccc1
InChIInChI=1S/C8H12.C7H8.CH4/c1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;/h6H,1,3-5H2,2H3;2-6H,1H3;1H4
InChIKeyWHQWASDEWDJTAN-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123505794
(1Z)-1-methyl-3-methylidenecyclotridecene
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CID 174391780
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ethene;toluene
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CID 101240530
titanium(2+);toluene
CID 22023820
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CID 174276009
deuterium monohydride;methane;toluene
CID 158938920
iridium;toluene
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CID 91350799

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-3-methylidenecyclohexene;toluene?
The IUPAC name of methane;1-methyl-3-methylidenecyclohexene;toluene (CID 170763882) is methane;1-methyl-3-methylidenecyclohexene;toluene.
What is the SMILES notation for methane;1-methyl-3-methylidenecyclohexene;toluene?
The canonical SMILES for methane;1-methyl-3-methylidenecyclohexene;toluene is C.C=C1C=C(C)CCC1.Cc1ccccc1.
What is the InChIKey of methane;1-methyl-3-methylidenecyclohexene;toluene?
The InChIKey is WHQWASDEWDJTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C7H8.CH4/c1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;/h6H,1,3-5H2,2H3;2-6H,1H3;1H4.
What are the key properties of methane;1-methyl-3-methylidenecyclohexene;toluene?
methane;1-methyl-3-methylidenecyclohexene;toluene has a molecular weight of 216.37 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-3-methylidenecyclohexene;toluene is sourced from PubChem (CID 170763882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).