1-methyl-2-(2-methylidenebutyl)benzene

C12H16 — CID 123760109

IUPAC1-methyl-2-(2-methylidenebutyl)benzene
SMILESC=C(CC)Cc1ccccc1C
InChIInChI=1S/C12H16/c1-4-10(2)9-12-8-6-5-7-11(12)3/h5-8H,2,4,9H2,1,3H3
InChIKeyCQWIIVRTQGPHHI-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.50
Rot. Bonds3

About 1-methyl-2-(2-methylidenebutyl)benzene

1-methyl-2-(2-methylidenebutyl)benzene (PubChem CID 123760109) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-methyl-2-(2-methylidenebutyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylidenebutyl)benzene
PubChem CID123760109
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-methyl-2-(2-methylidenebutyl)benzene
SMILESC=C(CC)Cc1ccccc1C
InChIInChI=1S/C12H16/c1-4-10(2)9-12-8-6-5-7-11(12)3/h5-8H,2,4,9H2,1,3H3
InChIKeyCQWIIVRTQGPHHI-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.50
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-methylidenebutylbenzene
CID 10964655
(NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine
CID 88926427
methyl 3-[(2-methylphenyl)methyl]but-3-enoate
CID 117268934
[3-methyl-4-(2-methylidenebutyl)phenyl]methanamine
CID 143341982
2-(2-methylphenyl)acetic acid
CID 67440217
1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene
CID 71365855
1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;2-methylprop-2-en-1-ol
CID 169131564
5-methyl-1-(2-methylphenyl)hex-5-en-2-one
CID 114473510
(2-methylphenyl)methylazanium chloride
CID 26942
1-(3-bromobut-3-enyl)-2-methylbenzene
CID 24721733
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
ethanol;2-(2-methylphenyl)ethanol
CID 69408748

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylidenebutyl)benzene?
The IUPAC name of 1-methyl-2-(2-methylidenebutyl)benzene (CID 123760109) is 1-methyl-2-(2-methylidenebutyl)benzene.
What is the SMILES notation for 1-methyl-2-(2-methylidenebutyl)benzene?
The canonical SMILES for 1-methyl-2-(2-methylidenebutyl)benzene is C=C(CC)Cc1ccccc1C.
What is the InChIKey of 1-methyl-2-(2-methylidenebutyl)benzene?
The InChIKey is CQWIIVRTQGPHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-4-10(2)9-12-8-6-5-7-11(12)3/h5-8H,2,4,9H2,1,3H3.
What are the key properties of 1-methyl-2-(2-methylidenebutyl)benzene?
1-methyl-2-(2-methylidenebutyl)benzene has a molecular weight of 160.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylidenebutyl)benzene is sourced from PubChem (CID 123760109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).