4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol

C15H25BrO2 — CID 76548710

IUPAC4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol
SMILESC=C1CCC(Br)C(C)(C)C12CCC(C)(O)C(O)C2
InChIInChI=1S/C15H25BrO2/c1-10-5-6-11(16)13(2,3)15(10)8-7-14(4,18)12(17)9-15/h11-12,17-18H,1,5-9H2,2-4H3
InChIKeyFRWZPOWVSVGUBL-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.41
Rot. Bonds

About 4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol

4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol (PubChem CID 76548710) has the molecular formula C15H25BrO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol.

Molecular Properties

Compound Name4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol
PubChem CID76548710
Molecular FormulaC15H25BrO2
Molecular Weight317.27 g/mol
Exact Mass316.10
IUPAC Name4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol
SMILESC=C1CCC(Br)C(C)(C)C12CCC(C)(O)C(O)C2
InChIInChI=1S/C15H25BrO2/c1-10-5-6-11(16)13(2,3)15(10)8-7-14(4,18)12(17)9-15/h11-12,17-18H,1,5-9H2,2-4H3
InChIKeyFRWZPOWVSVGUBL-UHFFFAOYSA-N
XLogP3.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3',4-dibromo-1,2',2',4a-tetramethyl-6'-methylidenespiro[3,4,5,6,8,8a-hexahydro-2H-naphthalene-7,1'-cyclohexane]-1,2-diol
CID 163027961
(4R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane
CID 23424643
(4R,6R,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane
CID 162941405
(4R,6S,9R,10R)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane
CID 163006435
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
(4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol
CID 10977052
(1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol
CID 15406232
6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid
CID 14321814
(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol
CID 130992158
(3S,4S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
CID 14108768
(4R)-4-bromo-3,3-dimethyl-2-methylidenecyclohexan-1-one
CID 132551745
(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol?
The IUPAC name of 4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol (CID 76548710) is 4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol.
What is the SMILES notation for 4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol?
The canonical SMILES for 4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol is C=C1CCC(Br)C(C)(C)C12CCC(C)(O)C(O)C2.
What is the InChIKey of 4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol?
The InChIKey is FRWZPOWVSVGUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO2/c1-10-5-6-11(16)13(2,3)15(10)8-7-14(4,18)12(17)9-15/h11-12,17-18H,1,5-9H2,2-4H3.
What are the key properties of 4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol?
4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol has a molecular weight of 317.27 g/mol, XLogP of 3.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol is sourced from PubChem (CID 76548710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).