(1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one

C15H22O — CID 70976594

IUPAC(1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one
SMILESCC1(C)C2=CC(=O)CC(C)(C)[C@]23CCC1C3
InChIInChI=1S/C15H22O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10H,5-6,8-9H2,1-4H3/t10?,15-/m0/s1
InChIKeyLGSKOQUJWNADCQ-WRXSAAJRSA-N
MW218.34 g/mol
LogP3.74
Rot. Bonds

About (1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one

(1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one (PubChem CID 70976594) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one.

Molecular Properties

Compound Name(1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one
PubChem CID70976594
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one
SMILESCC1(C)C2=CC(=O)CC(C)(C)[C@]23CCC1C3
InChIInChI=1S/C15H22O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10H,5-6,8-9H2,1-4H3/t10?,15-/m0/s1
InChIKeyLGSKOQUJWNADCQ-WRXSAAJRSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one?
The IUPAC name of (1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one (CID 70976594) is (1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one.
What is the SMILES notation for (1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one?
The canonical SMILES for (1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one is CC1(C)C2=CC(=O)CC(C)(C)[C@]23CCC1C3.
What is the InChIKey of (1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one?
The InChIKey is LGSKOQUJWNADCQ-WRXSAAJRSA-N. The full InChI is InChI=1S/C15H22O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10H,5-6,8-9H2,1-4H3/t10?,15-/m0/s1.
What are the key properties of (1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one?
(1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one has a molecular weight of 218.34 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one is sourced from PubChem (CID 70976594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).