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

C15H26O2 — CID 70487131

IUPAC(2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane
SMILESCC(C)O[C@@H]1C[C@@H]2[C@H]3CCC(C)([C@@H]2O1)C3(C)C
InChIInChI=1S/C15H26O2/c1-9(2)16-12-8-10-11-6-7-15(5,13(10)17-12)14(11,3)4/h9-13H,6-8H2,1-5H3/t10-,11-,12+,13-,15?/m1/s1
InChIKeyDZWFSEYSTHLZAC-CKMVWSRUSA-N
MW238.37 g/mol
LogP3.60
Rot. Bonds2

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

(2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane (PubChem CID 70487131) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane
PubChem CID70487131
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane
SMILESCC(C)O[C@@H]1C[C@@H]2[C@H]3CCC(C)([C@@H]2O1)C3(C)C
InChIInChI=1S/C15H26O2/c1-9(2)16-12-8-10-11-6-7-15(5,13(10)17-12)14(11,3)4/h9-13H,6-8H2,1-5H3/t10-,11-,12+,13-,15?/m1/s1
InChIKeyDZWFSEYSTHLZAC-CKMVWSRUSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane with MolForge

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Related Compounds

(1S,2R,4S,6R,7S)-1,10,10-trimethyl-4-[[(1R,2S,4S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane
CID 97299593
(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 12916575
(1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 15091817
(1R,2S,4S,6S,7R)-4-[(2S)-heptan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 15091824
(1R,2R,4S,6R,7R)-4-benzhydryloxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 101004163
(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane
CID 18596078
(1R,2S,4R,6S,7R)-1,10,10-trimethyl-4-[(1R)-1-thiophen-2-ylbutoxy]-3-oxatricyclo[5.2.1.02,6]decane
CID 15091803
N-[(2S)-2-(2-chlorophenyl)-2-[[(1S,2S,4S,6S,7S)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]ethyl]propan-2-amine
CID 70356299
[(2S)-3-naphthalen-1-yloxy-2-[[(1R,2S,4R,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]propyl]azanium
CID 23238190
(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-4-[[(1R,2S,4R,6R,7R)-1,10,10-trimethyl-5-[(1R,2S,6S,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]-3-oxatricyclo[5.2.1.02,6]decane
CID 10747522
(1R,2R,4S,6R,7R)-4-[(1S)-2-bromo-1-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethoxy]-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 11734082
1,11,11-trimethyl-3,6-dioxatricyclo[6.2.1.02,7]undecane
CID 88759012

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane?
The IUPAC name of (2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane (CID 70487131) is (2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane is CC(C)O[C@@H]1C[C@@H]2[C@H]3CCC(C)([C@@H]2O1)C3(C)C.
What is the InChIKey of (2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane?
The InChIKey is DZWFSEYSTHLZAC-CKMVWSRUSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)16-12-8-10-11-6-7-15(5,13(10)17-12)14(11,3)4/h9-13H,6-8H2,1-5H3/t10-,11-,12+,13-,15?/m1/s1.
What are the key properties of (2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane?
(2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane has a molecular weight of 238.37 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 70487131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).