(1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol

C13H20O2 — CID 139122861

IUPAC(1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol
SMILESCC1=C[C@H]2[C@]3(C)CO[C@@]2(C)[C@@](C)(C3)[C@@H]1O
InChIInChI=1S/C13H20O2/c1-8-5-9-11(2)6-12(3,10(8)14)13(9,4)15-7-11/h5,9-10,14H,6-7H2,1-4H3/t9-,10+,11-,12-,13+/m0/s1
InChIKeyGQHPDIIJTLOROO-FPYNETTCSA-N
MW208.30 g/mol
LogP2.13
Rot. Bonds

About (1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol

(1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol (PubChem CID 139122861) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol.

Molecular Properties

Compound Name(1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol
PubChem CID139122861
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol
SMILESCC1=C[C@H]2[C@]3(C)CO[C@@]2(C)[C@@](C)(C3)[C@@H]1O
InChIInChI=1S/C13H20O2/c1-8-5-9-11(2)6-12(3,10(8)14)13(9,4)15-7-11/h5,9-10,14H,6-7H2,1-4H3/t9-,10+,11-,12-,13+/m0/s1
InChIKeyGQHPDIIJTLOROO-FPYNETTCSA-N
XLogP2.13
TPSA29.46 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol?
The IUPAC name of (1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol (CID 139122861) is (1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol.
What is the SMILES notation for (1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol?
The canonical SMILES for (1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol is CC1=C[C@H]2[C@]3(C)CO[C@@]2(C)[C@@](C)(C3)[C@@H]1O.
What is the InChIKey of (1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol?
The InChIKey is GQHPDIIJTLOROO-FPYNETTCSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-5-9-11(2)6-12(3,10(8)14)13(9,4)15-7-11/h5,9-10,14H,6-7H2,1-4H3/t9-,10+,11-,12-,13+/m0/s1.
What are the key properties of (1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol?
(1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol has a molecular weight of 208.30 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6S,8R)-1,4,6,8-tetramethyl-10-oxatricyclo[4.4.0.02,8]dec-3-en-5-ol is sourced from PubChem (CID 139122861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).