(1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane

C11H18O2 — CID 89076380

IUPAC(1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane
SMILESCC1O[C@@]23C1OCC2(C)C(C)[C@@H]3C
InChIInChI=1S/C11H18O2/c1-6-7(2)11-9(8(3)13-11)12-5-10(6,11)4/h6-9H,5H2,1-4H3/t6?,7-,8?,9?,10?,11-/m0/s1
InChIKeyFQQCBFHJZYEQFV-LJYHQMAESA-N
MW182.26 g/mol
LogP1.83
Rot. Bonds

About (1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane

(1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane (PubChem CID 89076380) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane.

Molecular Properties

Compound Name(1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane
PubChem CID89076380
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane
SMILESCC1O[C@@]23C1OCC2(C)C(C)[C@@H]3C
InChIInChI=1S/C11H18O2/c1-6-7(2)11-9(8(3)13-11)12-5-10(6,11)4/h6-9H,5H2,1-4H3/t6?,7-,8?,9?,10?,11-/m0/s1
InChIKeyFQQCBFHJZYEQFV-LJYHQMAESA-N
XLogP1.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane?
The IUPAC name of (1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane (CID 89076380) is (1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane.
What is the SMILES notation for (1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane?
The canonical SMILES for (1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane is CC1O[C@@]23C1OCC2(C)C(C)[C@@H]3C.
What is the InChIKey of (1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane?
The InChIKey is FQQCBFHJZYEQFV-LJYHQMAESA-N. The full InChI is InChI=1S/C11H18O2/c1-6-7(2)11-9(8(3)13-11)12-5-10(6,11)4/h6-9H,5H2,1-4H3/t6?,7-,8?,9?,10?,11-/m0/s1.
What are the key properties of (1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane?
(1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane has a molecular weight of 182.26 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-3,7,8,9-tetramethyl-2,5-dioxatricyclo[5.2.0.01,4]nonane is sourced from PubChem (CID 89076380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).