6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

C12H13BrO2 — CID 23507886

IUPAC6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESBrc1ccc2c(c1)CC1(CC2)OCCO1
InChIInChI=1S/C12H13BrO2/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h1-2,7H,3-6,8H2
InChIKeyYWGSXLXXNRBUIL-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.68
Rot. Bonds

About 6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 23507886) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID23507886
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESBrc1ccc2c(c1)CC1(CC2)OCCO1
InChIInChI=1S/C12H13BrO2/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h1-2,7H,3-6,8H2
InChIKeyYWGSXLXXNRBUIL-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (CID 23507886) is 6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is Brc1ccc2c(c1)CC1(CC2)OCCO1.
What is the InChIKey of 6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is YWGSXLXXNRBUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h1-2,7H,3-6,8H2.
What are the key properties of 6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 269.14 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 23507886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).