(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane

C69H130O11 — CID 160756977

IUPAC(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane
SMILESCC[C@H]1O[C@@](CC)(O[C@H]2O[C@H](CC)[C@@H](C)[C@H](C)[C@H]2C)[C@@H](C)[C@@H]1C.CC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CC)O[C@H](CC)[C@@H](C)[C@@H]3C)[C@H](C)[C@@H](C)[C@@H]2C)[C@H](C)[C@@H](C)[C@H]1C.CC[C@H]1O[C@H](O[C@H]2O[C@H](CC)[C@@H](C)[C@H](C)[C@H]2C)[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C29H54O5.2C20H38O3/c1-12-24-18(6)16(4)20(8)27(31-24)30-15-26-19(7)17(5)21(9)28(32-26)34-29(14-3)23(11)22(10)25(13-2)33-29;1-9-17-13(5)12(4)14(6)19(21-17)23-20(11-3)16(8)15(7)18(10-2)22-20;1-9-17-13(5)11(3)15(7)19(21-17)23-20-16(8)12(4)14(6)18(10-2)22-20/h16-28H,12-15H2,1-11H3;12-19H,9-11H2,1-8H3;11-20H,9-10H2,1-8H3/t16-,17-,18+,19-,20+,21+,22-,23-,24+,25+,26+,27-,28+,29-;12-,13-,14+,15-,16-,17+,18+,19+,20-;11-,12-,13-,14-,15+,16+,17+,18+,19+,20+/m000/s1
InChIKeyRXOHNCQYZFTVQH-LHVPGKOTSA-N
MW1135.79 g/mol
LogP17.21
Rot. Bonds17

About (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane (PubChem CID 160756977) has the molecular formula C69H130O11 and a molecular weight of 1135.79 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane
PubChem CID160756977
Molecular FormulaC69H130O11
Molecular Weight1135.79 g/mol
Exact Mass1134.96
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane
SMILESCC[C@H]1O[C@@](CC)(O[C@H]2O[C@H](CC)[C@@H](C)[C@H](C)[C@H]2C)[C@@H](C)[C@@H]1C.CC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CC)O[C@H](CC)[C@@H](C)[C@@H]3C)[C@H](C)[C@@H](C)[C@@H]2C)[C@H](C)[C@@H](C)[C@H]1C.CC[C@H]1O[C@H](O[C@H]2O[C@H](CC)[C@@H](C)[C@H](C)[C@H]2C)[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C29H54O5.2C20H38O3/c1-12-24-18(6)16(4)20(8)27(31-24)30-15-26-19(7)17(5)21(9)28(32-26)34-29(14-3)23(11)22(10)25(13-2)33-29;1-9-17-13(5)12(4)14(6)19(21-17)23-20(11-3)16(8)15(7)18(10-2)22-20;1-9-17-13(5)11(3)15(7)19(21-17)23-20-16(8)12(4)14(6)18(10-2)22-20/h16-28H,12-15H2,1-11H3;12-19H,9-11H2,1-8H3;11-20H,9-10H2,1-8H3/t16-,17-,18+,19-,20+,21+,22-,23-,24+,25+,26+,27-,28+,29-;12-,13-,14+,15-,16-,17+,18+,19+,20-;11-,12-,13-,14-,15+,16+,17+,18+,19+,20+/m000/s1
InChIKeyRXOHNCQYZFTVQH-LHVPGKOTSA-N
XLogP17.21
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.79
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane
CID 20708699
(3S,4R,6S)-2-ethyl-3-[(2R,4R,5S)-6-[[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-5-methoxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 71047600
1-[(3R,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-N-methylmethanamine
CID 118460692
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-(3-methylbutoxy)oxane
CID 122599309
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(4S,5S)-6-ethyl-2,4,5-trimethyloxan-3-yl]oxy-3,5-dimethyloxane
CID 158555305
S-[2-[3-[(2R,4S,5S)-6-[[(2R,4S,5S)-6-[[(2R,4S,5S)-6-[[(2R,4S,5S)-6-[[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxan-2-yl]oxypropylamino]-2-oxoethyl] ethanethioate
CID 123461505
6-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxyhexan-2-one
CID 155642872
(3S,4R,6R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 122599315
(2R,4R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 58794899
(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane
CID 134169133

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane (CID 160756977) is (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane is CC[C@H]1O[C@@](CC)(O[C@H]2O[C@H](CC)[C@@H](C)[C@H](C)[C@H]2C)[C@@H](C)[C@@H]1C.CC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CC)O[C@H](CC)[C@@H](C)[C@@H]3C)[C@H](C)[C@@H](C)[C@@H]2C)[C@H](C)[C@@H](C)[C@H]1C.CC[C@H]1O[C@H](O[C@H]2O[C@H](CC)[C@@H](C)[C@H](C)[C@H]2C)[C@H](C)[C@@H](C)[C@@H]1C.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane?
The InChIKey is RXOHNCQYZFTVQH-LHVPGKOTSA-N. The full InChI is InChI=1S/C29H54O5.2C20H38O3/c1-12-24-18(6)16(4)20(8)27(31-24)30-15-26-19(7)17(5)21(9)28(32-26)34-29(14-3)23(11)22(10)25(13-2)33-29;1-9-17-13(5)12(4)14(6)19(21-17)23-20(11-3)16(8)15(7)18(10-2)22-20;1-9-17-13(5)11(3)15(7)19(21-17)23-20-16(8)12(4)14(6)18(10-2)22-20/h16-28H,12-15H2,1-11H3;12-19H,9-11H2,1-8H3;11-20H,9-10H2,1-8H3/t16-,17-,18+,19-,20+,21+,22-,23-,24+,25+,26+,27-,28+,29-;12-,13-,14+,15-,16-,17+,18+,19+,20-;11-,12-,13-,14-,15+,16+,17+,18+,19+,20+/m000/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane?
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane has a molecular weight of 1135.79 g/mol, XLogP of 17.21, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane is sourced from PubChem (CID 160756977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).