(1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one

C12H16O2 — CID 10987098

IUPAC(1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one
SMILESCC1(C)C[C@@H]2[C@@H]([C@@H]3C=C[C@H]2C3=O)[C@H]1O
InChIInChI=1S/C12H16O2/c1-12(2)5-8-6-3-4-7(10(6)13)9(8)11(12)14/h3-4,6-9,11,14H,5H2,1-2H3/t6-,7+,8+,9-,11-/m1/s1
InChIKeyDZICKLGPXKDKFV-KJFVXYAMSA-N
MW192.26 g/mol
LogP1.39
Rot. Bonds

About (1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one

(1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one (PubChem CID 10987098) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one.

Molecular Properties

Compound Name(1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one
PubChem CID10987098
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one
SMILESCC1(C)C[C@@H]2[C@@H]([C@@H]3C=C[C@H]2C3=O)[C@H]1O
InChIInChI=1S/C12H16O2/c1-12(2)5-8-6-3-4-7(10(6)13)9(8)11(12)14/h3-4,6-9,11,14H,5H2,1-2H3/t6-,7+,8+,9-,11-/m1/s1
InChIKeyDZICKLGPXKDKFV-KJFVXYAMSA-N
XLogP1.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one?
The IUPAC name of (1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one (CID 10987098) is (1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one.
What is the SMILES notation for (1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one?
The canonical SMILES for (1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one is CC1(C)C[C@@H]2[C@@H]([C@@H]3C=C[C@H]2C3=O)[C@H]1O.
What is the InChIKey of (1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one?
The InChIKey is DZICKLGPXKDKFV-KJFVXYAMSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(2)5-8-6-3-4-7(10(6)13)9(8)11(12)14/h3-4,6-9,11,14H,5H2,1-2H3/t6-,7+,8+,9-,11-/m1/s1.
What are the key properties of (1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one?
(1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one has a molecular weight of 192.26 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,6R,7R)-3-hydroxy-4,4-dimethyltricyclo[5.2.1.02,6]dec-8-en-10-one is sourced from PubChem (CID 10987098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).