4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol

C20H40O5 — CID 58675427

IUPAC4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol
SMILESCCCCCCCC(CCOC1C(C)C(C)OC(COC)C1O)OC
InChIInChI=1S/C20H40O5/c1-6-7-8-9-10-11-17(23-5)12-13-24-20-15(2)16(3)25-18(14-22-4)19(20)21/h15-21H,6-14H2,1-5H3
InChIKeyCVIIJHZUZDHHKS-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.57
Rot. Bonds13

About 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol

4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol (PubChem CID 58675427) has the molecular formula C20H40O5 and a molecular weight of 360.54 g/mol. Its IUPAC name is 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol.

Molecular Properties

Compound Name4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol
PubChem CID58675427
Molecular FormulaC20H40O5
Molecular Weight360.54 g/mol
Exact Mass360.29
IUPAC Name4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol
SMILESCCCCCCCC(CCOC1C(C)C(C)OC(COC)C1O)OC
InChIInChI=1S/C20H40O5/c1-6-7-8-9-10-11-17(23-5)12-13-24-20-15(2)16(3)25-18(14-22-4)19(20)21/h15-21H,6-14H2,1-5H3
InChIKeyCVIIJHZUZDHHKS-UHFFFAOYSA-N
XLogP3.57
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3R,5S)-5-hydroxy-4-(3-methoxydecoxy)-6-(methoxymethyl)-2-[(Z)-prop-1-enoxy]oxan-3-yl]undecanamide
CID 71080226
[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-bis(prop-2-enoxy)phosphoryloxyethoxy]-4,5-didodecoxy-3-hydroxyoxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-octadec-11-enoxyoxan-3-yl] bis(prop-2-enyl) phosphate
CID 91493764
[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxy-4-[(3R)-3-methoxydecoxy]oxan-3-yl] (Z)-octadec-11-enoate
CID 68953152
N-[(2S,5S)-4,5-dihydroxy-2-methyl-6-(propan-2-yloxymethyl)oxan-3-yl]-3-methoxytetradecanamide
CID 147152494
[(2R,3R,4S,5R,6R)-3,4-didodecoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-(octadec-9-ynoylamino)-5-phosphonooxyoxan-2-yl]oxymethyl]oxan-2-yl] dihydrogen phosphate
CID 11658228
[(3R,4S,5R,6R)-2,5-dihydroxy-4-[(3R)-3-methoxydecoxy]-6-(prop-2-enoxycarbonyloxymethyl)oxan-3-yl] (Z)-octadec-11-enoate
CID 68954363
(2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol
CID 20739031
[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R)-4-decoxy-6-dimethoxyphosphoryloxy-3-hydroxy-5-(3-oxotetradecanoylamino)oxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-(octadec-11-enoylamino)oxan-3-yl] dimethyl phosphate
CID 90846701
(3R,4S,5R,6R)-6-(methoxymethyl)-3,4-dipropoxyoxane-2,5-diol
CID 91331458
[(2R,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-[[(3R,4R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonooxyoxan-2-yl]oxymethyl]-3-(3-oxotetradecanoylamino)oxan-2-yl] dihydrogen phosphate
CID 58767051
[5-hydroxy-6-[[4-(3-methoxydecoxy)-6-(methoxymethyl)-3-[[(E)-octadec-11-enoyl]amino]-5-phosphonooxyoxan-2-yl]oxymethyl]-4-nonoxy-3-(3-oxobutanoylamino)oxan-2-yl] dihydrogen phosphate
CID 59734921
2-[(2S,3R,4S,5R,6R)-4-dodecoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-(3-methoxydecoxy)-6-(methoxymethyl)-3-[[(E)-octadec-11-enoyl]amino]-5-phosphonooxyoxan-2-yl]oxymethyl]-3-tetradecoxyoxan-2-yl]oxyacetic acid
CID 10351462

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol?
The IUPAC name of 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol (CID 58675427) is 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol.
What is the SMILES notation for 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol?
The canonical SMILES for 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol is CCCCCCCC(CCOC1C(C)C(C)OC(COC)C1O)OC.
What is the InChIKey of 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol?
The InChIKey is CVIIJHZUZDHHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5/c1-6-7-8-9-10-11-17(23-5)12-13-24-20-15(2)16(3)25-18(14-22-4)19(20)21/h15-21H,6-14H2,1-5H3.
What are the key properties of 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol?
4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol has a molecular weight of 360.54 g/mol, XLogP of 3.57, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol is sourced from PubChem (CID 58675427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).