(1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

C12H20O5 — CID 57385206

IUPAC(1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESCC1(C)OC[C@@H]2O[C@@]3(C)OC(C)(C)O[C@H]3[C@@H]2O1
InChIInChI=1S/C12H20O5/c1-10(2)13-6-7-8(15-10)9-12(5,14-7)17-11(3,4)16-9/h7-9H,6H2,1-5H3/t7-,8+,9-,12-/m0/s1
InChIKeyRKSRNGYECBIRPZ-NHRVJRKFSA-N
MW244.29 g/mol
LogP1.40
Rot. Bonds

About (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

(1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (PubChem CID 57385206) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name(1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
PubChem CID57385206
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESCC1(C)OC[C@@H]2O[C@@]3(C)OC(C)(C)O[C@H]3[C@@H]2O1
InChIInChI=1S/C12H20O5/c1-10(2)13-6-7-8(15-10)9-12(5,14-7)17-11(3,4)16-9/h7-9H,6H2,1-5H3/t7-,8+,9-,12-/m0/s1
InChIKeyRKSRNGYECBIRPZ-NHRVJRKFSA-N
XLogP1.40
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (CID 57385206) is (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is CC1(C)OC[C@@H]2O[C@@]3(C)OC(C)(C)O[C@H]3[C@@H]2O1.
What is the InChIKey of (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The InChIKey is RKSRNGYECBIRPZ-NHRVJRKFSA-N. The full InChI is InChI=1S/C12H20O5/c1-10(2)13-6-7-8(15-10)9-12(5,14-7)17-11(3,4)16-9/h7-9H,6H2,1-5H3/t7-,8+,9-,12-/m0/s1.
What are the key properties of (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
(1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane has a molecular weight of 244.29 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,8S)-4,4,6,11,11-pentamethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 57385206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).