2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane

C16H21BrO — CID 81327783

IUPAC2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane
SMILESCC1CCC(C(Br)c2ccc3c(c2)CCCC3)O1
InChIInChI=1S/C16H21BrO/c1-11-6-9-15(18-11)16(17)14-8-7-12-4-2-3-5-13(12)10-14/h7-8,10-11,15-16H,2-6,9H2,1H3
InChIKeyWUZILAHNBVYRMA-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.57
Rot. Bonds2

About 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane

2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane (PubChem CID 81327783) has the molecular formula C16H21BrO and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane
PubChem CID81327783
Molecular FormulaC16H21BrO
Molecular Weight309.25 g/mol
Exact Mass308.08
IUPAC Name2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane
SMILESCC1CCC(C(Br)c2ccc3c(c2)CCCC3)O1
InChIInChI=1S/C16H21BrO/c1-11-6-9-15(18-11)16(17)14-8-7-12-4-2-3-5-13(12)10-14/h7-8,10-11,15-16H,2-6,9H2,1H3
InChIKeyWUZILAHNBVYRMA-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 61085309
2-[bromo-(3,4-dimethoxyphenyl)methyl]-5-methyloxolane
CID 81326671
2-[bromo-(3-bromo-4-fluorophenyl)methyl]-5-methyloxolane
CID 81326767
6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439571
2-[bromo-(4-fluoro-3,5-dimethylphenyl)methyl]-5-methyloxolane
CID 81327276
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
3-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63440742
1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine
CID 81329935
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63439179
7-[hydroxy-(5-methyloxolan-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 81330193
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methyloxolane
CID 81327702

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane?
The IUPAC name of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane (CID 81327783) is 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane.
What is the SMILES notation for 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane?
The canonical SMILES for 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane is CC1CCC(C(Br)c2ccc3c(c2)CCCC3)O1.
What is the InChIKey of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane?
The InChIKey is WUZILAHNBVYRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO/c1-11-6-9-15(18-11)16(17)14-8-7-12-4-2-3-5-13(12)10-14/h7-8,10-11,15-16H,2-6,9H2,1H3.
What are the key properties of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane?
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane has a molecular weight of 309.25 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane is sourced from PubChem (CID 81327783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).