(1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one

C11H14O2 — CID 102430835

IUPAC(1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
SMILESC[C@@H]1[C@@H]2C=CC(=O)[C@@]3(CCC[C@@H]13)O2
InChIInChI=1S/C11H14O2/c1-7-8-3-2-6-11(8)10(12)5-4-9(7)13-11/h4-5,7-9H,2-3,6H2,1H3/t7-,8-,9-,11-/m0/s1
InChIKeyHIFVNXSKYQWOJA-KBIXCLLPSA-N
MW178.23 g/mol
LogP1.70
Rot. Bonds

About (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one

(1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one (PubChem CID 102430835) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one.

Molecular Properties

Compound Name(1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
PubChem CID102430835
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
SMILESC[C@@H]1[C@@H]2C=CC(=O)[C@@]3(CCC[C@@H]13)O2
InChIInChI=1S/C11H14O2/c1-7-8-3-2-6-11(8)10(12)5-4-9(7)13-11/h4-5,7-9H,2-3,6H2,1H3/t7-,8-,9-,11-/m0/s1
InChIKeyHIFVNXSKYQWOJA-KBIXCLLPSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one with MolForge

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Related Compounds

(1S,4R,5R,7R)-5-methyl-4-propan-2-yl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 11458679
11-Oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
CID 130036435
(1S,7R)-11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
CID 130985797
(1R,5R,7S)-5-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 134910864
3-Prop-2-enyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 134965005
(1R,4R,5S,7S)-5-methyl-4-propyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 134987174
15-Oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-one
CID 135009609
(1R,2R,9R,10R,14R)-2-methyl-15-oxatetracyclo[7.4.2.01,10.06,14]pentadeca-4,6-diene-8,11-dione
CID 139050057
(1R,5R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[5.3.1.01,5]undec-9-en-8-one
CID 11392269
1,2,3,7,8,8a-Hexahydro-6H-3a,7-epoxyazulen-6-one
CID 12789276
4-Methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 14315361
(1S,5S,7R)-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 56594803

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
The IUPAC name of (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one (CID 102430835) is (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one.
What is the SMILES notation for (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
The canonical SMILES for (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one is C[C@@H]1[C@@H]2C=CC(=O)[C@@]3(CCC[C@@H]13)O2.
What is the InChIKey of (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
The InChIKey is HIFVNXSKYQWOJA-KBIXCLLPSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-8-3-2-6-11(8)10(12)5-4-9(7)13-11/h4-5,7-9H,2-3,6H2,1H3/t7-,8-,9-,11-/m0/s1.
What are the key properties of (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one?
(1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one has a molecular weight of 178.23 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S,7S)-6-methyl-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one is sourced from PubChem (CID 102430835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).