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

C10H14O3 — CID 135193122

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane
SMILESC=C1O[C@H]2O[C@H]3[C@@H](C)[C@@H]1O[C@@H]2[C@H]3C
InChIInChI=1S/C10H14O3/c1-4-7-5(2)9-10(13-7)11-6(3)8(4)12-9/h4-5,7-10H,3H2,1-2H3/t4-,5+,7+,8+,9-,10+/m1/s1
InChIKeyNEYNYCILPPXKTD-VFLGHHOZSA-N
MW182.22 g/mol
LogP1.29
Rot. Bonds

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

(1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane (PubChem CID 135193122) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane.

Molecular Properties

Compound Name(1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane
PubChem CID135193122
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane
SMILESC=C1O[C@H]2O[C@H]3[C@@H](C)[C@@H]1O[C@@H]2[C@H]3C
InChIInChI=1S/C10H14O3/c1-4-7-5(2)9-10(13-7)11-6(3)8(4)12-9/h4-5,7-10H,3H2,1-2H3/t4-,5+,7+,8+,9-,10+/m1/s1
InChIKeyNEYNYCILPPXKTD-VFLGHHOZSA-N
XLogP1.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane?
The IUPAC name of (1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane (CID 135193122) is (1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane.
What is the SMILES notation for (1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane?
The canonical SMILES for (1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane is C=C1O[C@H]2O[C@H]3[C@@H](C)[C@@H]1O[C@@H]2[C@H]3C.
What is the InChIKey of (1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane?
The InChIKey is NEYNYCILPPXKTD-VFLGHHOZSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-7-5(2)9-10(13-7)11-6(3)8(4)12-9/h4-5,7-10H,3H2,1-2H3/t4-,5+,7+,8+,9-,10+/m1/s1.
What are the key properties of (1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane?
(1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane has a molecular weight of 182.22 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane is sourced from PubChem (CID 135193122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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