2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane]

C15H19BrO — CID 102036508

IUPAC2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane]
SMILESCc1ccc2c(c1)C1(CCO1)C(Br)CC2(C)C
InChIInChI=1S/C15H19BrO/c1-10-4-5-11-12(8-10)15(6-7-17-15)13(16)9-14(11,2)3/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyYARNTXKHEKCSBW-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.06
Rot. Bonds

About 2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane]

2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane] (PubChem CID 102036508) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane].

Molecular Properties

Compound Name2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane]
PubChem CID102036508
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane]
SMILESCc1ccc2c(c1)C1(CCO1)C(Br)CC2(C)C
InChIInChI=1S/C15H19BrO/c1-10-4-5-11-12(8-10)15(6-7-17-15)13(16)9-14(11,2)3/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyYARNTXKHEKCSBW-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.06
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

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4-(4-methylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan
CID 14726505
3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;1,1,4,4,6-pentamethyl-7-nitro-2,3-dihydronaphthalene
CID 158771702

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane]?
The IUPAC name of 2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane] (CID 102036508) is 2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane].
What is the SMILES notation for 2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane]?
The canonical SMILES for 2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane] is Cc1ccc2c(c1)C1(CCO1)C(Br)CC2(C)C.
What is the InChIKey of 2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane]?
The InChIKey is YARNTXKHEKCSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-10-4-5-11-12(8-10)15(6-7-17-15)13(16)9-14(11,2)3/h4-5,8,13H,6-7,9H2,1-3H3.
What are the key properties of 2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane]?
2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane] has a molecular weight of 295.22 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,4,7-trimethylspiro[2,3-dihydronaphthalene-1,2'-oxetane] is sourced from PubChem (CID 102036508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).