(1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol

C13H20O2 — CID 164676202

IUPAC(1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol
SMILESCC1=C[C@@]2(C)C[C@]3(C)O[C@@H]3[C@@](C)(C1)[C@@H]2O
InChIInChI=1S/C13H20O2/c1-8-5-11(2)7-13(4)10(15-13)12(3,6-8)9(11)14/h5,9-10,14H,6-7H2,1-4H3/t9-,10-,11+,12+,13+/m1/s1
InChIKeyQWOLFNDLPYNSPS-BNDIWNMDSA-N
MW208.30 g/mol
LogP2.27
Rot. Bonds

About (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol

(1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol (PubChem CID 164676202) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol.

Molecular Properties

Compound Name(1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol
PubChem CID164676202
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol
SMILESCC1=C[C@@]2(C)C[C@]3(C)O[C@@H]3[C@@](C)(C1)[C@@H]2O
InChIInChI=1S/C13H20O2/c1-8-5-11(2)7-13(4)10(15-13)12(3,6-8)9(11)14/h5,9-10,14H,6-7H2,1-4H3/t9-,10-,11+,12+,13+/m1/s1
InChIKeyQWOLFNDLPYNSPS-BNDIWNMDSA-N
XLogP2.27
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R,3S,6S)-6-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-ynyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 46210888
Corchoionol A
CID 10656857
(1R,3S,6S)-6-[(E,3R)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 23251169
6-(3-Hydroxybut-1-enyl)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 539381
(1R,3R,6S)-6-[(E,3R)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 162950675
(1S,3S,6R)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 162953476
(1R,3S,6S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 163187699
7-Oxabicyclo[4.1.0]heptan-3-ol, 6-(3-hydroxy-1-butenyl)-1,5,5-trimethyl-
CID 5363777
2,2,6-Trimethyl-1-(3-methylbuta-1,3-dienyl)-7-oxabicyclo[4.1.0]heptan-3-ol
CID 5363759
(1R,3S,6S)-6-[(3R,7R,9E,12S,13E,15E)-18-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadeca-9,13,15-trienyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 155488572
(1R,3S,6S)-6-[(3R,7S,12S,13E,15E)-18-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadeca-13,15-dienyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 155488593
(1R,3S,6S)-6-[(3R,7R,9E,12R,15E)-18-[(1R,4R,6S)-4-hydroxy-2,2,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadeca-9,15-dienyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 155488604

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol?
The IUPAC name of (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol (CID 164676202) is (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol.
What is the SMILES notation for (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol?
The canonical SMILES for (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol is CC1=C[C@@]2(C)C[C@]3(C)O[C@@H]3[C@@](C)(C1)[C@@H]2O.
What is the InChIKey of (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol?
The InChIKey is QWOLFNDLPYNSPS-BNDIWNMDSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-5-11(2)7-13(4)10(15-13)12(3,6-8)9(11)14/h5,9-10,14H,6-7H2,1-4H3/t9-,10-,11+,12+,13+/m1/s1.
What are the key properties of (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol?
(1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol has a molecular weight of 208.30 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,6R,10R)-1,4,6,8-tetramethyl-3-oxatricyclo[4.3.1.02,4]dec-7-en-10-ol is sourced from PubChem (CID 164676202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).