7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]

C13H15BrO2 — CID 11781026

IUPAC7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESBrc1ccc2c(c1)CCC1(C2)OCCCO1
InChIInChI=1S/C13H15BrO2/c14-12-3-2-11-9-13(5-4-10(11)8-12)15-6-1-7-16-13/h2-3,8H,1,4-7,9H2
InChIKeyCEQXPAGCUCHJCE-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.07
Rot. Bonds

About 7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]

7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 11781026) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID11781026
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESBrc1ccc2c(c1)CCC1(C2)OCCCO1
InChIInChI=1S/C13H15BrO2/c14-12-3-2-11-9-13(5-4-10(11)8-12)15-6-1-7-16-13/h2-3,8H,1,4-7,9H2
InChIKeyCEQXPAGCUCHJCE-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene] (CID 11781026) is 7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene] is Brc1ccc2c(c1)CCC1(C2)OCCCO1.
What is the InChIKey of 7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is CEQXPAGCUCHJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c14-12-3-2-11-9-13(5-4-10(11)8-12)15-6-1-7-16-13/h2-3,8H,1,4-7,9H2.
What are the key properties of 7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene]?
7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 283.16 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromospiro[1,3-dioxane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 11781026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).