(1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

C11H14O3 — CID 25111714

IUPAC(1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCC1(C)[C@@H]2C=C[C@@H]3[C@H]1CO[C@]3(O)C2=O
InChIInChI=1S/C11H14O3/c1-10(2)7-4-3-6-8(10)5-14-11(6,13)9(7)12/h3-4,6-8,13H,5H2,1-2H3/t6-,7-,8-,11+/m1/s1
InChIKeyUEOYBSBAHHVJTB-NKIIXMILSA-N
MW194.23 g/mol
LogP0.73
Rot. Bonds

About (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one

(1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (PubChem CID 25111714) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.

Molecular Properties

Compound Name(1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
PubChem CID25111714
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCC1(C)[C@@H]2C=C[C@@H]3[C@H]1CO[C@]3(O)C2=O
InChIInChI=1S/C11H14O3/c1-10(2)7-4-3-6-8(10)5-14-11(6,13)9(7)12/h3-4,6-8,13H,5H2,1-2H3/t6-,7-,8-,11+/m1/s1
InChIKeyUEOYBSBAHHVJTB-NKIIXMILSA-N
XLogP0.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

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4-Oxa-tricyclo(4,3,1,03,7)dec-8-en-2-one
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(1S,3S,6S,7R,10S)-1-methyl-10-propan-2-yl-4-oxatricyclo[4.3.1.03,7]dec-8-ene-2,5-dione
CID 139095253
(1R,3R,6R,7S,10S)-7-methyl-10-propan-2-yl-4-oxatricyclo[4.3.1.03,7]dec-8-ene-2,5-dione
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3,6,9-Trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
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3-Methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 72828554
3-Methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 85166895
10-Ethenyl-3-methoxy-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 85288053
(3-Methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-en-8-yl)boronic acid
CID 172767799
(1R,3R,6R,7S,10R)-3-methoxy-10-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
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Frequently Asked Questions

What is the IUPAC name of (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The IUPAC name of (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (CID 25111714) is (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.
What is the SMILES notation for (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The canonical SMILES for (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is CC1(C)[C@@H]2C=C[C@@H]3[C@H]1CO[C@]3(O)C2=O.
What is the InChIKey of (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The InChIKey is UEOYBSBAHHVJTB-NKIIXMILSA-N. The full InChI is InChI=1S/C11H14O3/c1-10(2)7-4-3-6-8(10)5-14-11(6,13)9(7)12/h3-4,6-8,13H,5H2,1-2H3/t6-,7-,8-,11+/m1/s1.
What are the key properties of (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
(1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,6R,7R)-3-hydroxy-10,10-dimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is sourced from PubChem (CID 25111714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).