1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene

C16H17Br — CID 79323139

IUPAC1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene
SMILESCC(C)C(=Cc1cccc2ccccc12)CBr
InChIInChI=1S/C16H17Br/c1-12(2)15(11-17)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-10,12H,11H2,1-2H3
InChIKeyCDCWZIBXOGZGIE-UHFFFAOYSA-N
MW289.22 g/mol
LogP5.27
Rot. Bonds3

About 1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene

1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene (PubChem CID 79323139) has the molecular formula C16H17Br and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene
PubChem CID79323139
Molecular FormulaC16H17Br
Molecular Weight289.22 g/mol
Exact Mass288.05
IUPAC Name1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene
SMILESCC(C)C(=Cc1cccc2ccccc12)CBr
InChIInChI=1S/C16H17Br/c1-12(2)15(11-17)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-10,12H,11H2,1-2H3
InChIKeyCDCWZIBXOGZGIE-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.22
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2-methylprop-1-enyl)naphthalene
CID 79323656
N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine
CID 79342653
1-[2-(bromomethyl)-3-methylbut-1-enyl]-3-methoxy-2-propan-2-yloxybenzene
CID 79323643
1-(2,2-difluoroethenyl)naphthalene;ethane
CID 91067867
1-(2,2-dibromoethenyl)naphthalene
CID 12642645
1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene
CID 79323305
1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine
CID 87961483
(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal
CID 101086332
(E)-4-naphthalen-1-ylbut-3-en-2-ol
CID 13482503
4-[(Z)-2-(chloromethyl)-3-methylbut-1-enyl]isoquinoline
CID 104505374
1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene
CID 101059606
1-naphthalen-1-yl-N-propan-2-ylmethanimine
CID 10352682

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene?
The IUPAC name of 1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene (CID 79323139) is 1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene.
What is the SMILES notation for 1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene?
The canonical SMILES for 1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene is CC(C)C(=Cc1cccc2ccccc12)CBr.
What is the InChIKey of 1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene?
The InChIKey is CDCWZIBXOGZGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br/c1-12(2)15(11-17)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene?
1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene has a molecular weight of 289.22 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene is sourced from PubChem (CID 79323139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).