2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol

C26H37NO6 — CID 10204803

IUPAC2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol
SMILESCOC(C)(C)CCOC1OC(CN2CCOCC2)C(OCc2ccc3ccccc3c2)C1O
InChIInChI=1S/C26H37NO6/c1-26(2,29-3)10-13-31-25-23(28)24(22(33-25)17-27-11-14-30-15-12-27)32-18-19-8-9-20-6-4-5-7-21(20)16-19/h4-9,16,22-25,28H,10-15,17-18H2,1-3H3
InChIKeyRQCJCAVWUPXRMJ-UHFFFAOYSA-N
MW459.58 g/mol
LogP2.97
Rot. Bonds10

About 2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol

2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol (PubChem CID 10204803) has the molecular formula C26H37NO6 and a molecular weight of 459.58 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol
PubChem CID10204803
Molecular FormulaC26H37NO6
Molecular Weight459.58 g/mol
Exact Mass459.26
IUPAC Name2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol
SMILESCOC(C)(C)CCOC1OC(CN2CCOCC2)C(OCc2ccc3ccccc3c2)C1O
InChIInChI=1S/C26H37NO6/c1-26(2,29-3)10-13-31-25-23(28)24(22(33-25)17-27-11-14-30-15-12-27)32-18-19-8-9-20-6-4-5-7-21(20)16-19/h4-9,16,22-25,28H,10-15,17-18H2,1-3H3
InChIKeyRQCJCAVWUPXRMJ-UHFFFAOYSA-N
XLogP2.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,4R,5R)-2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol
CID 59922385
(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol
CID 102237778
(2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane
CID 100966830
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-4-hydroxy-3-[(2R,3S,4S,5R)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-2-yl]oxy-5-methoxyoxolan-2-yl]methoxy]-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-ol
CID 102415998
(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-(naphthalen-2-ylmethoxy)oxan-4-ol
CID 70996996
(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-hydroxy-3-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-4-(naphthalen-2-ylmethoxy)oxan-3-ol;hydrochloride
CID 44626702
(3R,4R,6R)-5-amino-6-[(1S,2R,4R)-4,6-diamino-3-hydroxy-2-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-2-(hydroxymethyl)-4-(naphthalen-2-ylmethoxy)oxan-3-ol
CID 59612286
(2R,3R,4S,5R,6R)-2-(naphthalen-2-ylmethoxymethyl)-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxan-3-ol
CID 101187106
(2S,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 10800923
(2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol
CID 102520288
6-(5-aminopentoxy)-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 156559615
4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128440

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol (CID 10204803) is 2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol is COC(C)(C)CCOC1OC(CN2CCOCC2)C(OCc2ccc3ccccc3c2)C1O.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol?
The InChIKey is RQCJCAVWUPXRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO6/c1-26(2,29-3)10-13-31-25-23(28)24(22(33-25)17-27-11-14-30-15-12-27)32-18-19-8-9-20-6-4-5-7-21(20)16-19/h4-9,16,22-25,28H,10-15,17-18H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol?
2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol has a molecular weight of 459.58 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)-5-(morpholin-4-ylmethyl)-4-(naphthalen-2-ylmethoxy)oxolan-3-ol is sourced from PubChem (CID 10204803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).