(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

C24H38O3 — CID 97299593

IUPAC(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
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H]1O[C@@H](O[C@H]3C[C@H]4[C@@H](O3)[C@@]3(C)CC[C@@H]4C3(C)C)C[C@@H]21
InChIInChI=1S/C24H38O3/c1-21(2)15-7-9-23(21,5)19-13(15)11-17(26-19)25-18-12-14-16-8-10-24(6,20(14)27-18)22(16,3)4/h13-20H,7-12H2,1-6H3/t13-,14+,15+,16-,17-,18-,19-,20+,23-,24+/m1/s1
InChIKeyVUDXCBLBKXFCNA-HTFXFZDQSA-N
MW374.57 g/mol
LogP5.38
Rot. Bonds2

About (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

(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 (PubChem CID 97299593) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97299593
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Name(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
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H]1O[C@@H](O[C@H]3C[C@H]4[C@@H](O3)[C@@]3(C)CC[C@@H]4C3(C)C)C[C@@H]21
InChIInChI=1S/C24H38O3/c1-21(2)15-7-9-23(21,5)19-13(15)11-17(26-19)25-18-12-14-16-8-10-24(6,20(14)27-18)22(16,3)4/h13-20H,7-12H2,1-6H3/t13-,14+,15+,16-,17-,18-,19-,20+,23-,24+/m1/s1
InChIKeyVUDXCBLBKXFCNA-HTFXFZDQSA-N
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Related Compounds

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(1R,2S,4S,7S,8R)-4-methoxy-1,11,11-trimethyl-3-oxatricyclo[6.2.1.02,7]undecane
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(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,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,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,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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)[C@@H]2CC[C@@]1(C)[C@H]1O[C@@H](O[C@H]3C[C@H]4[C@@H](O3)[C@@]3(C)CC[C@@H]4C3(C)C)C[C@@H]21.
What is the InChIKey of (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?
The InChIKey is VUDXCBLBKXFCNA-HTFXFZDQSA-N. The full InChI is InChI=1S/C24H38O3/c1-21(2)15-7-9-23(21,5)19-13(15)11-17(26-19)25-18-12-14-16-8-10-24(6,20(14)27-18)22(16,3)4/h13-20H,7-12H2,1-6H3/t13-,14+,15+,16-,17-,18-,19-,20+,23-,24+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 374.57 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97299593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).