(7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol

C8H11BrO3 — CID 53474575

IUPAC(7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol
SMILESCC1=C(Br)C2(C[C@@H]1O)OCCO2
InChIInChI=1S/C8H11BrO3/c1-5-6(10)4-8(7(5)9)11-2-3-12-8/h6,10H,2-4H2,1H3/t6-/m0/s1
InChIKeyLRADLQORFFDYMG-LURJTMIESA-N
MW235.08 g/mol
LogP1.16
Rot. Bonds

About (7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol

(7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol (PubChem CID 53474575) has the molecular formula C8H11BrO3 and a molecular weight of 235.08 g/mol. Its IUPAC name is (7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol.

Molecular Properties

Compound Name(7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol
PubChem CID53474575
Molecular FormulaC8H11BrO3
Molecular Weight235.08 g/mol
Exact Mass233.99
IUPAC Name(7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol
SMILESCC1=C(Br)C2(C[C@@H]1O)OCCO2
InChIInChI=1S/C8H11BrO3/c1-5-6(10)4-8(7(5)9)11-2-3-12-8/h6,10H,2-4H2,1H3/t6-/m0/s1
InChIKeyLRADLQORFFDYMG-LURJTMIESA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-ol
CID 135001373
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CID 130130321
(4S)-4-hydroxy-2,3,6,6-tetramethylcyclohex-2-en-1-one
CID 58913857
(1S)-2,4,4-trimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 90799403
(3Z)-2,2-ditert-butyl-3-ethylidene-5,8-dioxaspiro[3.4]octane
CID 167289402
1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene
CID 45091102
(1'R,2'S,3'aS,7'aS)-2'-bromo-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
CID 163323216
3'-iodo-2'-methylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]oct-2-ene]
CID 117070185
8-methyl-1,4-dioxaspiro[4.4]nonan-9-one
CID 11062628
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol
CID 11821489
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 107287207

Frequently Asked Questions

What is the IUPAC name of (7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol?
The IUPAC name of (7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol (CID 53474575) is (7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol.
What is the SMILES notation for (7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol?
The canonical SMILES for (7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol is CC1=C(Br)C2(C[C@@H]1O)OCCO2.
What is the InChIKey of (7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol?
The InChIKey is LRADLQORFFDYMG-LURJTMIESA-N. The full InChI is InChI=1S/C8H11BrO3/c1-5-6(10)4-8(7(5)9)11-2-3-12-8/h6,10H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol?
(7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol has a molecular weight of 235.08 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol is sourced from PubChem (CID 53474575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).