2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane

C26H42O7 — CID 163825437

IUPAC2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOCC1OC(OCc2ccc(COC3CCCCCCC3)cc2)C(OC)C(OC)C1OC
InChIInChI=1S/C26H42O7/c1-27-18-22-23(28-2)24(29-3)25(30-4)26(33-22)32-17-20-14-12-19(13-15-20)16-31-21-10-8-6-5-7-9-11-21/h12-15,21-26H,5-11,16-18H2,1-4H3
InChIKeyNZBPVORPRDCPJY-UHFFFAOYSA-N
MW466.62 g/mol
LogP4.25
Rot. Bonds11

About 2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane

2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane (PubChem CID 163825437) has the molecular formula C26H42O7 and a molecular weight of 466.62 g/mol. Its IUPAC name is 2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane.

Molecular Properties

Compound Name2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane
PubChem CID163825437
Molecular FormulaC26H42O7
Molecular Weight466.62 g/mol
Exact Mass466.29
IUPAC Name2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOCC1OC(OCc2ccc(COC3CCCCCCC3)cc2)C(OC)C(OC)C1OC
InChIInChI=1S/C26H42O7/c1-27-18-22-23(28-2)24(29-3)25(30-4)26(33-22)32-17-20-14-12-19(13-15-20)16-31-21-10-8-6-5-7-9-11-21/h12-15,21-26H,5-11,16-18H2,1-4H3
InChIKeyNZBPVORPRDCPJY-UHFFFAOYSA-N
XLogP4.25
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane
CID 10980078
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
[4-(cycloheptyloxymethyl)phenyl]-trimethylsilane
CID 103438663
(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane
CID 101182912
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol
CID 129030971
(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
CID 59039688
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
(2R,3R,4S,5R,6R)-3,5-dimethoxy-2-(methoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 24744907

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The IUPAC name of 2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane (CID 163825437) is 2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane.
What is the SMILES notation for 2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The canonical SMILES for 2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane is COCC1OC(OCc2ccc(COC3CCCCCCC3)cc2)C(OC)C(OC)C1OC.
What is the InChIKey of 2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The InChIKey is NZBPVORPRDCPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O7/c1-27-18-22-23(28-2)24(29-3)25(30-4)26(33-22)32-17-20-14-12-19(13-15-20)16-31-21-10-8-6-5-7-9-11-21/h12-15,21-26H,5-11,16-18H2,1-4H3.
What are the key properties of 2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane has a molecular weight of 466.62 g/mol, XLogP of 4.25, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane is sourced from PubChem (CID 163825437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).