(2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane

C11H19BrO2 — CID 10332947

IUPAC(2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane
SMILESC[C@H]1CCC[C@@]2(O1)O[C@@H](C)CC[C@H]2Br
InChIInChI=1S/C11H19BrO2/c1-8-4-3-7-11(13-8)10(12)6-5-9(2)14-11/h8-10H,3-7H2,1-2H3/t8-,9-,10+,11+/m0/s1
InChIKeyFTWFHDMZURCTFY-UKKRHICBSA-N
MW263.17 g/mol
LogP3.23
Rot. Bonds

About (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane

(2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 10332947) has the molecular formula C11H19BrO2 and a molecular weight of 263.17 g/mol. Its IUPAC name is (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane
PubChem CID10332947
Molecular FormulaC11H19BrO2
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name(2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane
SMILESC[C@H]1CCC[C@@]2(O1)O[C@@H](C)CC[C@H]2Br
InChIInChI=1S/C11H19BrO2/c1-8-4-3-7-11(13-8)10(12)6-5-9(2)14-11/h8-10H,3-7H2,1-2H3/t8-,9-,10+,11+/m0/s1
InChIKeyFTWFHDMZURCTFY-UKKRHICBSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane with MolForge

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Related Compounds

(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254043
(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane
CID 102399716
6-methyl-5-oxa-2-azaspiro[3.5]nonane
CID 171035899
(2R,4aS,6R,8aS)-6-bromo-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
CID 134901790
(2R,4S,5R,6R,8R)-2-(2-hydroxyethyl)-8-methyl-1,7-dioxaspiro[5.5]undecane-4,5-diol
CID 16746176
1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one
CID 155264401
(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10997977
(2S,3R,5S,9R)-2,3,9-trimethyl-1,10-dioxaspiro[4.5]decane
CID 10845202
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 10888892
(4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 15600013
3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 619276

Frequently Asked Questions

What is the IUPAC name of (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane (CID 10332947) is (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane is C[C@H]1CCC[C@@]2(O1)O[C@@H](C)CC[C@H]2Br.
What is the InChIKey of (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is FTWFHDMZURCTFY-UKKRHICBSA-N. The full InChI is InChI=1S/C11H19BrO2/c1-8-4-3-7-11(13-8)10(12)6-5-9(2)14-11/h8-10H,3-7H2,1-2H3/t8-,9-,10+,11+/m0/s1.
What are the key properties of (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane?
(2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 263.17 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6R,8S)-5-bromo-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 10332947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).