4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol

C15H25Br2ClO — CID 558901

IUPAC4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol
SMILESCC1CC(O)C(Br)C(C)(C)C12CCC(C)(Cl)C(Br)C2
InChIInChI=1S/C15H25Br2ClO/c1-9-7-10(19)12(17)13(2,3)15(9)6-5-14(4,18)11(16)8-15/h9-12,19H,5-8H2,1-4H3
InChIKeyIDWIUXHNQBVESY-UHFFFAOYSA-N
MW416.63 g/mol
LogP5.11
Rot. Bonds

About 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol

4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol (PubChem CID 558901) has the molecular formula C15H25Br2ClO and a molecular weight of 416.63 g/mol. Its IUPAC name is 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol.

Molecular Properties

Compound Name4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol
PubChem CID558901
Molecular FormulaC15H25Br2ClO
Molecular Weight416.63 g/mol
Exact Mass414.00
IUPAC Name4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol
SMILESCC1CC(O)C(Br)C(C)(C)C12CCC(C)(Cl)C(Br)C2
InChIInChI=1S/C15H25Br2ClO/c1-9-7-10(19)12(17)13(2,3)15(9)6-5-14(4,18)11(16)8-15/h9-12,19H,5-8H2,1-4H3
InChIKeyIDWIUXHNQBVESY-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.63
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S,6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-ol
CID 14165915
4,10-dibromo-9-chloro-1-(methoxymethyl)-5,5,9-trimethylspiro[5.5]undec-1-en-3-ol
CID 163128665
(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
(2S,6R)-4,10-dibromo-9-chloro-2,5,5,9-tetramethylspiro[5.5]undec-3-en-1-one
CID 139587344
(6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene
CID 163191762
(6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene
CID 14680655
3-bromo-4-chloro-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodecan-9-ol
CID 72745630
(1R,1'R,2R,4R,4'S,5'S,6S)-4,4'-dibromo-5'-chloro-1,3,3,5'-tetramethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'-cyclohexane]-1'-ol
CID 163191460
(3R,4S,6S,9Z)-4-bromo-9-(chloromethylidene)-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undecan-10-one
CID 102233552
carbonic acid;1,1-dichloro-2-methylcyclopropane
CID 68873513
azane;1,4,5,5,6,6-hexamethylpiperidin-2-ol
CID 175174761

Frequently Asked Questions

What is the IUPAC name of 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol?
The IUPAC name of 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol (CID 558901) is 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol.
What is the SMILES notation for 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol?
The canonical SMILES for 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol is CC1CC(O)C(Br)C(C)(C)C12CCC(C)(Cl)C(Br)C2.
What is the InChIKey of 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol?
The InChIKey is IDWIUXHNQBVESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Br2ClO/c1-9-7-10(19)12(17)13(2,3)15(9)6-5-14(4,18)11(16)8-15/h9-12,19H,5-8H2,1-4H3.
What are the key properties of 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol?
4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol has a molecular weight of 416.63 g/mol, XLogP of 5.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol is sourced from PubChem (CID 558901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).