1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene

C16H18 — CID 58760824

IUPAC1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene
SMILESCC(C)=C(C)c1ccc(C)c2ccccc12
InChIInChI=1S/C16H18/c1-11(2)13(4)15-10-9-12(3)14-7-5-6-8-16(14)15/h5-10H,1-4H3
InChIKeyIBOWRKFJISUCGM-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.96
Rot. Bonds1

About 1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene

1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene (PubChem CID 58760824) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene.

Molecular Properties

Compound Name1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene
PubChem CID58760824
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene
SMILESCC(C)=C(C)c1ccc(C)c2ccccc12
InChIInChI=1S/C16H18/c1-11(2)13(4)15-10-9-12(3)14-7-5-6-8-16(14)15/h5-10H,1-4H3
InChIKeyIBOWRKFJISUCGM-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-but-2-en-2-yl]-4-methylnaphthalene
CID 144623185
4-methylnaphthalene-1-carboxylate;thallium(1+)
CID 22604806
1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene
CID 101204700
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79803418
[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methylnaphthalen-1-yl)methanone
CID 154745036
1,5-dimethylnaphthalene
CID 162159355
1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene
CID 144609212
(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107096188
methyl 4-(4-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82646447

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene?
The IUPAC name of 1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene (CID 58760824) is 1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene.
What is the SMILES notation for 1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene?
The canonical SMILES for 1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene is CC(C)=C(C)c1ccc(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene?
The InChIKey is IBOWRKFJISUCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-11(2)13(4)15-10-9-12(3)14-7-5-6-8-16(14)15/h5-10H,1-4H3.
What are the key properties of 1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene?
1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene has a molecular weight of 210.32 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene is sourced from PubChem (CID 58760824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).