(1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane

C14H24O2 — CID 18596073

IUPAC(1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCCO[C@@H]1C[C@H]2[C@H]3CC[C@@](C)([C@H]2O1)C3(C)C
InChIInChI=1S/C14H24O2/c1-5-15-11-8-9-10-6-7-14(4,12(9)16-11)13(10,2)3/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12-,14-/m0/s1
InChIKeyYCLFBKWQSMTLDG-ZUDIRPEPSA-N
MW224.34 g/mol
LogP3.21
Rot. Bonds2

About (1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane

(1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane (PubChem CID 18596073) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
PubChem CID18596073
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCCO[C@@H]1C[C@H]2[C@H]3CC[C@@](C)([C@H]2O1)C3(C)C
InChIInChI=1S/C14H24O2/c1-5-15-11-8-9-10-6-7-14(4,12(9)16-11)13(10,2)3/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12-,14-/m0/s1
InChIKeyYCLFBKWQSMTLDG-ZUDIRPEPSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane (CID 18596073) is (1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane is CCO[C@@H]1C[C@H]2[C@H]3CC[C@@](C)([C@H]2O1)C3(C)C.
What is the InChIKey of (1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The InChIKey is YCLFBKWQSMTLDG-ZUDIRPEPSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-15-11-8-9-10-6-7-14(4,12(9)16-11)13(10,2)3/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12-,14-/m0/s1.
What are the key properties of (1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
(1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane has a molecular weight of 224.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 18596073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).