(1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol

C10H16O3 — CID 18599404

IUPAC(1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
SMILESCC1=C(C)[C@@]2(C)O[C@]1(C)C(O)C2O
InChIInChI=1S/C10H16O3/c1-5-6(2)10(4)8(12)7(11)9(5,3)13-10/h7-8,11-12H,1-4H3/t7?,8?,9-,10+
InChIKeyJRWHSZUJWGAXFF-OXYCZDQYSA-N
MW184.23 g/mol
LogP0.61
Rot. Bonds

About (1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol

(1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol (PubChem CID 18599404) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol.

Molecular Properties

Compound Name(1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
PubChem CID18599404
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
SMILESCC1=C(C)[C@@]2(C)O[C@]1(C)C(O)C2O
InChIInChI=1S/C10H16O3/c1-5-6(2)10(4)8(12)7(11)9(5,3)13-10/h7-8,11-12H,1-4H3/t7?,8?,9-,10+
InChIKeyJRWHSZUJWGAXFF-OXYCZDQYSA-N
XLogP0.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol?
The IUPAC name of (1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol (CID 18599404) is (1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol.
What is the SMILES notation for (1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol?
The canonical SMILES for (1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol is CC1=C(C)[C@@]2(C)O[C@]1(C)C(O)C2O.
What is the InChIKey of (1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol?
The InChIKey is JRWHSZUJWGAXFF-OXYCZDQYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-6(2)10(4)8(12)7(11)9(5,3)13-10/h7-8,11-12H,1-4H3/t7?,8?,9-,10+.
What are the key properties of (1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol?
(1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol has a molecular weight of 184.23 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,4,5,6-tetramethyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol is sourced from PubChem (CID 18599404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).