4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol

C15H20Br2O — CID 4560

IUPAC4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol
SMILESC=C1CC(O)C(Br)C(C)(C)C12C=CC(=CBr)CC2
InChIInChI=1S/C15H20Br2O/c1-10-8-12(18)13(17)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,6,9,12-13,18H,1,5,7-8H2,2-3H3
InChIKeyBERVNSMGLDGYPR-UHFFFAOYSA-N
MW376.13 g/mol
LogP4.71
Rot. Bonds

About 4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol

4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol (PubChem CID 4560) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol.

Molecular Properties

Compound Name4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol
PubChem CID4560
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol
SMILESC=C1CC(O)C(Br)C(C)(C)C12C=CC(=CBr)CC2
InChIInChI=1S/C15H20Br2O/c1-10-8-12(18)13(17)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,6,9,12-13,18H,1,5,7-8H2,2-3H3
InChIKeyBERVNSMGLDGYPR-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.13
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(3S,4R,6R)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undeca-8,10-dien-3-ol
CID 15599842
(3R,4S,6S,9S)-4-bromo-9-(dibromomethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-ene-3,9-diol
CID 134131968
(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-ol
CID 134835095
(3R,5S,9E)-3-bromo-9-(bromomethylidene)-1,1,5-trimethylspiro[5.5]undec-10-en-5-ol
CID 10249045
(3S,4S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
CID 14108768
(3R,4S,6S,9Z)-4-bromo-9-(chloromethylidene)-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undecan-10-one
CID 102233552
(3R,4S,6R)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
CID 14108766
(1S,6S,9E)-9-(bromomethylidene)-1,4,5-trimethylspiro[5.5]undeca-4,10-dien-3-one
CID 162854216
(1S,3aR,7aS)-4,4,7a-trimethyl-2-methylidene-1,3,3a,5,6,7-hexahydroinden-1-ol
CID 130977926
(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol
CID 130992158
7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
CID 143095782
(2S,3R,5S,8R,9S,10S,13S,14S)-2-ethenyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 67649435

Frequently Asked Questions

What is the IUPAC name of 4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol?
The IUPAC name of 4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol (CID 4560) is 4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol.
What is the SMILES notation for 4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol?
The canonical SMILES for 4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol is C=C1CC(O)C(Br)C(C)(C)C12C=CC(=CBr)CC2.
What is the InChIKey of 4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol?
The InChIKey is BERVNSMGLDGYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-10-8-12(18)13(17)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,6,9,12-13,18H,1,5,7-8H2,2-3H3.
What are the key properties of 4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol?
4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol has a molecular weight of 376.13 g/mol, XLogP of 4.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol is sourced from PubChem (CID 4560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).