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

C14H18O — CID 89213647

IUPAC(1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one
SMILESC=C1C2=CC(=O)CC(C)(C)[C@]23CCC1C3
InChIInChI=1S/C14H18O/c1-9-10-4-5-14(7-10)12(9)6-11(15)8-13(14,2)3/h6,10H,1,4-5,7-8H2,2-3H3/t10?,14-/m0/s1
InChIKeyWMYOWYQHXCMWSC-SBNLOKMTSA-N
MW202.30 g/mol
LogP3.27
Rot. Bonds

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

(1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one (PubChem CID 89213647) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one
PubChem CID89213647
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one
SMILESC=C1C2=CC(=O)CC(C)(C)[C@]23CCC1C3
InChIInChI=1S/C14H18O/c1-9-10-4-5-14(7-10)12(9)6-11(15)8-13(14,2)3/h6,10H,1,4-5,7-8H2,2-3H3/t10?,14-/m0/s1
InChIKeyWMYOWYQHXCMWSC-SBNLOKMTSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one?
The IUPAC name of (1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one (CID 89213647) is (1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one.
What is the SMILES notation for (1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one?
The canonical SMILES for (1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one is C=C1C2=CC(=O)CC(C)(C)[C@]23CCC1C3.
What is the InChIKey of (1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one?
The InChIKey is WMYOWYQHXCMWSC-SBNLOKMTSA-N. The full InChI is InChI=1S/C14H18O/c1-9-10-4-5-14(7-10)12(9)6-11(15)8-13(14,2)3/h6,10H,1,4-5,7-8H2,2-3H3/t10?,14-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one?
(1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one has a molecular weight of 202.30 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-7-methylidenetricyclo[6.2.1.01,6]undec-5-en-4-one is sourced from PubChem (CID 89213647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).