(1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene

C15H24O — CID 134856644

IUPAC(1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene
SMILESCOC1=C[C@@]23CCCC(C)(C)C[C@@H]2[C@@]3(C)C1
InChIInChI=1S/C15H24O/c1-13(2)6-5-7-15-9-11(16-4)8-14(15,3)12(15)10-13/h9,12H,5-8,10H2,1-4H3/t12-,14-,15+/m1/s1
InChIKeyNECDECLZXQXJPZ-YUELXQCFSA-N
MW220.36 g/mol
LogP4.14
Rot. Bonds1

About (1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene

(1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene (PubChem CID 134856644) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene.

Molecular Properties

Compound Name(1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene
PubChem CID134856644
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene
SMILESCOC1=C[C@@]23CCCC(C)(C)C[C@@H]2[C@@]3(C)C1
InChIInChI=1S/C15H24O/c1-13(2)6-5-7-15-9-11(16-4)8-14(15,3)12(15)10-13/h9,12H,5-8,10H2,1-4H3/t12-,14-,15+/m1/s1
InChIKeyNECDECLZXQXJPZ-YUELXQCFSA-N
XLogP4.14
TPSA9.23 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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene?
The IUPAC name of (1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene (CID 134856644) is (1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene.
What is the SMILES notation for (1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene?
The canonical SMILES for (1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene is COC1=C[C@@]23CCCC(C)(C)C[C@@H]2[C@@]3(C)C1.
What is the InChIKey of (1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene?
The InChIKey is NECDECLZXQXJPZ-YUELXQCFSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)6-5-7-15-9-11(16-4)8-14(15,3)12(15)10-13/h9,12H,5-8,10H2,1-4H3/t12-,14-,15+/m1/s1.
What are the key properties of (1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene?
(1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene has a molecular weight of 220.36 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,8R)-10-methoxy-5,5,8-trimethyltricyclo[5.4.0.01,8]undec-10-ene is sourced from PubChem (CID 134856644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).