(1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene

C11H14O — CID 134895810

IUPAC(1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCOC1C=C[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H14O/c1-12-10-5-4-9-7-2-3-8(6-7)11(9)10/h2-5,7-11H,6H2,1H3/t7-,8+,9-,10?,11+/m0/s1
InChIKeyJMPFTFCSXAJLRW-SQVYSQSISA-N
MW162.23 g/mol
LogP2.01
Rot. Bonds1

About (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene

(1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 134895810) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name(1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID134895810
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCOC1C=C[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H14O/c1-12-10-5-4-9-7-2-3-8(6-7)11(9)10/h2-5,7-11H,6H2,1H3/t7-,8+,9-,10?,11+/m0/s1
InChIKeyJMPFTFCSXAJLRW-SQVYSQSISA-N
XLogP2.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene with MolForge

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Related Compounds

2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester
CID 39850
3a,4,5,6,7,7a-hexahydromethoxy-4,7-methano-1H-indene
CID 13425224
4,7-Methano-1H-inden-1-ol, 3a,4,7,7a-tetrahydro-
CID 424033
2-(Bicyclo[2.2.1]hept-5-en-2-yl)oxirane
CID 247190
1-Hydroxydicyclopentadiene
CID 10898854
(1R,2S,3R,6R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 11768721
[(1R,2S,3R,6R,7S)-3-tricyclo[5.2.1.02,6]deca-4,8-dienyl] acetate
CID 13218118
2H-Pyran, tetrahydro-2,4-dimethyl-6-(3-methylbicyclo(2.2.1)hept-5-en-2-yl)-, didehydro deriv.
CID 23454481
5-Oxatetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 12920503
(1S,2R,3S,6S,7R)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 11457766
(3R)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 12456714
(2S,6R)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 59153938

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene (CID 134895810) is (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene is COC1C=C[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is JMPFTFCSXAJLRW-SQVYSQSISA-N. The full InChI is InChI=1S/C11H14O/c1-12-10-5-4-9-7-2-3-8(6-7)11(9)10/h2-5,7-11H,6H2,1H3/t7-,8+,9-,10?,11+/m0/s1.
What are the key properties of (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene?
(1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 162.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-5-methoxytricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 134895810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).