(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one

C14H22O — CID 10536289

IUPAC(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one
SMILESC[C@H]1CCC[C@@]2(C)CC(=O)[C@H]3CC[C@@]12C3
InChIInChI=1S/C14H22O/c1-10-4-3-6-13(2)9-12(15)11-5-7-14(10,13)8-11/h10-11H,3-9H2,1-2H3/t10-,11-,13-,14+/m0/s1
InChIKeyJCXNYCQJONJXIQ-AUZPSNTRSA-N
MW206.33 g/mol
LogP3.57
Rot. Bonds

About (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one

(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one (PubChem CID 10536289) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one.

Molecular Properties

Compound Name(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one
PubChem CID10536289
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one
SMILESC[C@H]1CCC[C@@]2(C)CC(=O)[C@H]3CC[C@@]12C3
InChIInChI=1S/C14H22O/c1-10-4-3-6-13(2)9-12(15)11-5-7-14(10,13)8-11/h10-11H,3-9H2,1-2H3/t10-,11-,13-,14+/m0/s1
InChIKeyJCXNYCQJONJXIQ-AUZPSNTRSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one?
The IUPAC name of (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one (CID 10536289) is (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one.
What is the SMILES notation for (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one?
The canonical SMILES for (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one is C[C@H]1CCC[C@@]2(C)CC(=O)[C@H]3CC[C@@]12C3.
What is the InChIKey of (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one?
The InChIKey is JCXNYCQJONJXIQ-AUZPSNTRSA-N. The full InChI is InChI=1S/C14H22O/c1-10-4-3-6-13(2)9-12(15)11-5-7-14(10,13)8-11/h10-11H,3-9H2,1-2H3/t10-,11-,13-,14+/m0/s1.
What are the key properties of (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one?
(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one has a molecular weight of 206.33 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one is sourced from PubChem (CID 10536289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).