(1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene

C15H24O — CID 102256738

IUPAC(1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene
SMILESC/C1=C/[C@H]2C[C@@]3(CC[C@@H]2C(C)C)O[C@H]3CC1
InChIInChI=1S/C15H24O/c1-10(2)13-6-7-15-9-12(13)8-11(3)4-5-14(15)16-15/h8,10,12-14H,4-7,9H2,1-3H3/b11-8-/t12-,13+,14-,15+/m0/s1
InChIKeyZBBZNJBCTBFTGY-CMVHSESLSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds1

About (1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene

(1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene (PubChem CID 102256738) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene.

Molecular Properties

Compound Name(1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene
PubChem CID102256738
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene
SMILESC/C1=C/[C@H]2C[C@@]3(CC[C@@H]2C(C)C)O[C@H]3CC1
InChIInChI=1S/C15H24O/c1-10(2)13-6-7-15-9-12(13)8-11(3)4-5-14(15)16-15/h8,10,12-14H,4-7,9H2,1-3H3/b11-8-/t12-,13+,14-,15+/m0/s1
InChIKeyZBBZNJBCTBFTGY-CMVHSESLSA-N
XLogP3.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene?
The IUPAC name of (1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene (CID 102256738) is (1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene.
What is the SMILES notation for (1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene?
The canonical SMILES for (1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene is C/C1=C/[C@H]2C[C@@]3(CC[C@@H]2C(C)C)O[C@H]3CC1.
What is the InChIKey of (1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene?
The InChIKey is ZBBZNJBCTBFTGY-CMVHSESLSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)13-6-7-15-9-12(13)8-11(3)4-5-14(15)16-15/h8,10,12-14H,4-7,9H2,1-3H3/b11-8-/t12-,13+,14-,15+/m0/s1.
What are the key properties of (1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene?
(1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene has a molecular weight of 220.36 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6Z,8S,9R)-6-methyl-9-propan-2-yl-2-oxatricyclo[6.3.1.01,3]dodec-6-ene is sourced from PubChem (CID 102256738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).