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

C10H12O2 — CID 23650905

IUPAC(1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCC1=C[C@@H]2C[C@H]3CO[C@@H](C2=O)[C@@H]13
InChIInChI=1S/C10H12O2/c1-5-2-6-3-7-4-12-10(8(5)7)9(6)11/h2,6-8,10H,3-4H2,1H3/t6-,7+,8+,10-/m1/s1
InChIKeyUMECUOULOHPTCN-CHIQAWFVSA-N
MW164.20 g/mol
LogP1.17
Rot. Bonds

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

(1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (PubChem CID 23650905) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.

Molecular Properties

Compound Name(1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
PubChem CID23650905
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
SMILESCC1=C[C@@H]2C[C@H]3CO[C@@H](C2=O)[C@@H]13
InChIInChI=1S/C10H12O2/c1-5-2-6-3-7-4-12-10(8(5)7)9(6)11/h2,6-8,10H,3-4H2,1H3/t6-,7+,8+,10-/m1/s1
InChIKeyUMECUOULOHPTCN-CHIQAWFVSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

4-Oxa-tricyclo(4,3,1,03,7)dec-8-en-2-one
CID 129847970
8-Bromo-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 134982755
(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
CID 139095254
3,6,9-Trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 164671241
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
CID 10511999
(1S,3R,6R,7S)-3-methoxy-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
CID 10535370
Ethanone, 1-(3-oxatricyclo[3.2.2.02,4]non-8-en-6-yl)-, (1alpha,2beta,4beta,5alpha,6alpha)-(9CI)
CID 10678582

Frequently Asked Questions

What is the IUPAC name of (1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The IUPAC name of (1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one (CID 23650905) is (1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one.
What is the SMILES notation for (1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The canonical SMILES for (1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is CC1=C[C@@H]2C[C@H]3CO[C@@H](C2=O)[C@@H]13.
What is the InChIKey of (1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
The InChIKey is UMECUOULOHPTCN-CHIQAWFVSA-N. The full InChI is InChI=1S/C10H12O2/c1-5-2-6-3-7-4-12-10(8(5)7)9(6)11/h2,6-8,10H,3-4H2,1H3/t6-,7+,8+,10-/m1/s1.
What are the key properties of (1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one?
(1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6R,7R)-8-methyl-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one is sourced from PubChem (CID 23650905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).