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

C18H32O2 — CID 15091817

IUPAC(1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCCCC[C@H](C)O[C@H]1C[C@@H]2[C@H]3CC[C@@](C)([C@@H]2O1)C3(C)C
InChIInChI=1S/C18H32O2/c1-6-7-8-12(2)19-15-11-13-14-9-10-18(5,16(13)20-15)17(14,3)4/h12-16H,6-11H2,1-5H3/t12-,13+,14+,15+,16+,18-/m0/s1
InChIKeyIGMICMUGIOUEMI-AIVZJVSBSA-N
MW280.45 g/mol
LogP4.77
Rot. Bonds5

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

(1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane (PubChem CID 15091817) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
PubChem CID15091817
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
SMILESCCCC[C@H](C)O[C@H]1C[C@@H]2[C@H]3CC[C@@](C)([C@@H]2O1)C3(C)C
InChIInChI=1S/C18H32O2/c1-6-7-8-12(2)19-15-11-13-14-9-10-18(5,16(13)20-15)17(14,3)4/h12-16H,6-11H2,1-5H3/t12-,13+,14+,15+,16+,18-/m0/s1
InChIKeyIGMICMUGIOUEMI-AIVZJVSBSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The IUPAC name of (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) is (1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane is CCCC[C@H](C)O[C@H]1C[C@@H]2[C@H]3CC[C@@](C)([C@@H]2O1)C3(C)C.
What is the InChIKey of (1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
The InChIKey is IGMICMUGIOUEMI-AIVZJVSBSA-N. The full InChI is InChI=1S/C18H32O2/c1-6-7-8-12(2)19-15-11-13-14-9-10-18(5,16(13)20-15)17(14,3)4/h12-16H,6-11H2,1-5H3/t12-,13+,14+,15+,16+,18-/m0/s1.
What are the key properties of (1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane?
(1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane has a molecular weight of 280.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,6R,7R)-4-[(2S)-hexan-2-yl]oxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 15091817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).