(1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol

C9H14O4 — CID 130361222

IUPAC(1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol
SMILESC[C@@H]1[C@@H]2O[C@@H]3O[C@H](O)[C@H]1O[C@@H]3[C@H]2C
InChIInChI=1S/C9H14O4/c1-3-5-4(2)7-9(12-5)13-8(10)6(3)11-7/h3-10H,1-2H3/t3-,4+,5+,6+,7-,8+,9-/m1/s1
InChIKeyYJUSANWBOKNCFT-JRPWLHHSSA-N
MW186.21 g/mol
LogP0.10
Rot. Bonds

About (1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol

(1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol (PubChem CID 130361222) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol.

Molecular Properties

Compound Name(1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol
PubChem CID130361222
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol
SMILESC[C@@H]1[C@@H]2O[C@@H]3O[C@H](O)[C@H]1O[C@@H]3[C@H]2C
InChIInChI=1S/C9H14O4/c1-3-5-4(2)7-9(12-5)13-8(10)6(3)11-7/h3-10H,1-2H3/t3-,4+,5+,6+,7-,8+,9-/m1/s1
InChIKeyYJUSANWBOKNCFT-JRPWLHHSSA-N
XLogP0.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol?
The IUPAC name of (1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol (CID 130361222) is (1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol.
What is the SMILES notation for (1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol?
The canonical SMILES for (1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol is C[C@@H]1[C@@H]2O[C@@H]3O[C@H](O)[C@H]1O[C@@H]3[C@H]2C.
What is the InChIKey of (1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol?
The InChIKey is YJUSANWBOKNCFT-JRPWLHHSSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-5-4(2)7-9(12-5)13-8(10)6(3)11-7/h3-10H,1-2H3/t3-,4+,5+,6+,7-,8+,9-/m1/s1.
What are the key properties of (1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol?
(1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol has a molecular weight of 186.21 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol is sourced from PubChem (CID 130361222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).