(6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene

C15H22BrCl — CID 14680655

IUPAC(6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene
SMILESC=C1CC=CC(C)(C)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2
InChIInChI=1S/C15H22BrCl/c1-11-6-5-7-13(2,3)15(11)9-8-14(4,17)12(16)10-15/h5,7,12H,1,6,8-10H2,2-4H3/t12-,14-,15-/m1/s1
InChIKeyMNGJZORQSGCQAN-BPLDGKMQSA-N
MW317.70 g/mol
LogP5.46
Rot. Bonds

About (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene

(6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene (PubChem CID 14680655) has the molecular formula C15H22BrCl and a molecular weight of 317.70 g/mol. Its IUPAC name is (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene.

Molecular Properties

Compound Name(6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene
PubChem CID14680655
Molecular FormulaC15H22BrCl
Molecular Weight317.70 g/mol
Exact Mass316.06
IUPAC Name(6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene
SMILESC=C1CC=CC(C)(C)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2
InChIInChI=1S/C15H22BrCl/c1-11-6-5-7-13(2,3)15(11)9-8-14(4,17)12(16)10-15/h5,7,12H,1,6,8-10H2,2-4H3/t12-,14-,15-/m1/s1
InChIKeyMNGJZORQSGCQAN-BPLDGKMQSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.70
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene with MolForge

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Related Compounds

(4R,6R,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane
CID 162941405
(4R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane
CID 23424643
(6S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,3-diene
CID 163191762
(2S,6R)-4,10-dibromo-9-chloro-2,5,5,9-tetramethylspiro[5.5]undec-3-en-1-one
CID 139587344
(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
3-bromo-4-chloro-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodecan-9-ol
CID 72745630
(1R,3S,4S,6R,8S)-3-bromo-4-chloro-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodecane
CID 162848416
4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undecan-3-ol
CID 558901
(4R,6S,9R,10R)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane
CID 163006435
(1R,3S,4S,8R,11R)-3,8-dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-11-ol
CID 163056142
(2S)-2-[(1R,3R,4R)-3-bromo-4-chloro-4-methylcyclohexyl]-2,6,6-trimethylpyran-3-one
CID 46881080

Frequently Asked Questions

What is the IUPAC name of (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene?
The IUPAC name of (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene (CID 14680655) is (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene.
What is the SMILES notation for (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene?
The canonical SMILES for (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene is C=C1CC=CC(C)(C)[C@@]12CC[C@@](C)(Cl)[C@H](Br)C2.
What is the InChIKey of (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene?
The InChIKey is MNGJZORQSGCQAN-BPLDGKMQSA-N. The full InChI is InChI=1S/C15H22BrCl/c1-11-6-5-7-13(2,3)15(11)9-8-14(4,17)12(16)10-15/h5,7,12H,1,6,8-10H2,2-4H3/t12-,14-,15-/m1/s1.
What are the key properties of (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene?
(6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene has a molecular weight of 317.70 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9R,10R)-10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-ene is sourced from PubChem (CID 14680655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).