11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane

C16H28O — CID 14263132

IUPAC11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane
SMILESCOC12CC3(C)CCCC1CC(C)(C)C2CC3
InChIInChI=1S/C16H28O/c1-14(2)10-12-6-5-8-15(3)9-7-13(14)16(12,11-15)17-4/h12-13H,5-11H2,1-4H3
InChIKeySODCVOFIADSJLF-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.41
Rot. Bonds1

About 11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane

11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane (PubChem CID 14263132) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane.

Molecular Properties

Compound Name11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane
PubChem CID14263132
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane
SMILESCOC12CC3(C)CCCC1CC(C)(C)C2CC3
InChIInChI=1S/C16H28O/c1-14(2)10-12-6-5-8-15(3)9-7-13(14)16(12,11-15)17-4/h12-13H,5-11H2,1-4H3
InChIKeySODCVOFIADSJLF-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane?
The IUPAC name of 11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane (CID 14263132) is 11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane.
What is the SMILES notation for 11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane?
The canonical SMILES for 11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane is COC12CC3(C)CCCC1CC(C)(C)C2CC3.
What is the InChIKey of 11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane?
The InChIKey is SODCVOFIADSJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-14(2)10-12-6-5-8-15(3)9-7-13(14)16(12,11-15)17-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane?
11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane has a molecular weight of 236.40 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane is sourced from PubChem (CID 14263132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).