(1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene

C14H21ClO — CID 163701824

IUPAC(1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene
SMILESCOC1CCC2[C@@H]3C[C@H](C=C[C@@H]2[C@@H]1Cl)C3C
InChIInChI=1S/C14H21ClO/c1-8-9-3-4-11-10(12(8)7-9)5-6-13(16-2)14(11)15/h3-4,8-14H,5-7H2,1-2H3/t8?,9-,10?,11-,12+,13?,14-/m0/s1
InChIKeyKBRKNHSEGPADKO-ARZQSFKXSA-N
MW240.77 g/mol
LogP3.48
Rot. Bonds1

About (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene

(1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene (PubChem CID 163701824) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene.

Molecular Properties

Compound Name(1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene
PubChem CID163701824
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name(1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene
SMILESCOC1CCC2[C@@H]3C[C@H](C=C[C@@H]2[C@@H]1Cl)C3C
InChIInChI=1S/C14H21ClO/c1-8-9-3-4-11-10(12(8)7-9)5-6-13(16-2)14(11)15/h3-4,8-14H,5-7H2,1-2H3/t8?,9-,10?,11-,12+,13?,14-/m0/s1
InChIKeyKBRKNHSEGPADKO-ARZQSFKXSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene with MolForge

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Related Compounds

5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane
CID 90928180
(1S,2S,5R,6R,7R)-5-methoxytricyclo[5.4.0.02,6]undec-3-ene
CID 25146734
(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
CID 166889412
1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane
CID 118191687
3-(2-methoxycyclopentyl)cyclohexene
CID 139470470
(1R,4S,5R,6R)-5,6-dichlorobicyclo[2.2.1]hept-2-ene
CID 23270288
(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene
CID 59956778
(4S)-7-methylbicyclo[2.2.1]hept-2-ene
CID 143323028
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
(1S)-1-cyclobutyl-2-methoxycyclobutane
CID 89278867
1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate
CID 160507704

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene?
The IUPAC name of (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene (CID 163701824) is (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene.
What is the SMILES notation for (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene?
The canonical SMILES for (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene is COC1CCC2[C@@H]3C[C@H](C=C[C@@H]2[C@@H]1Cl)C3C.
What is the InChIKey of (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene?
The InChIKey is KBRKNHSEGPADKO-ARZQSFKXSA-N. The full InChI is InChI=1S/C14H21ClO/c1-8-9-3-4-11-10(12(8)7-9)5-6-13(16-2)14(11)15/h3-4,8-14H,5-7H2,1-2H3/t8?,9-,10?,11-,12+,13?,14-/m0/s1.
What are the key properties of (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene?
(1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene has a molecular weight of 240.77 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7S,10R)-6-chloro-5-methoxy-11-methyltricyclo[8.1.1.02,7]dodec-8-ene is sourced from PubChem (CID 163701824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).