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

C12H13BrO2 — CID 86688723

IUPAC8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESBrc1cccc2c1CCC1(C2)OCCO1
InChIInChI=1S/C12H13BrO2/c13-11-3-1-2-9-8-12(5-4-10(9)11)14-6-7-15-12/h1-3H,4-8H2
InChIKeyYCPQKWACMRWIIU-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.68
Rot. Bonds

About 8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 86688723) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID86688723
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESBrc1cccc2c1CCC1(C2)OCCO1
InChIInChI=1S/C12H13BrO2/c13-11-3-1-2-9-8-12(5-4-10(9)11)14-6-7-15-12/h1-3H,4-8H2
InChIKeyYCPQKWACMRWIIU-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 8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (CID 86688723) is 8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is Brc1cccc2c1CCC1(C2)OCCO1.
What is the InChIKey of 8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is YCPQKWACMRWIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-11-3-1-2-9-8-12(5-4-10(9)11)14-6-7-15-12/h1-3H,4-8H2.
What are the key properties of 8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
8'-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 8'-bromospiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 86688723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).