(2S)-2-methyl-6-tetradecoxyoxan-3-ol

C20H40O3 — CID 144591243

IUPAC(2S)-2-methyl-6-tetradecoxyoxan-3-ol
SMILESCCCCCCCCCCCCCCOC1CCC(O)[C@H](C)O1
InChIInChI=1S/C20H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-20-16-15-19(21)18(2)23-20/h18-21H,3-17H2,1-2H3/t18-,19?,20?/m0/s1
InChIKeyYJSIWJQEHBPKQT-HDYDNRTBSA-N
MW328.54 g/mol
LogP5.59
Rot. Bonds14

About (2S)-2-methyl-6-tetradecoxyoxan-3-ol

(2S)-2-methyl-6-tetradecoxyoxan-3-ol (PubChem CID 144591243) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is (2S)-2-methyl-6-tetradecoxyoxan-3-ol.

Molecular Properties

Compound Name(2S)-2-methyl-6-tetradecoxyoxan-3-ol
PubChem CID144591243
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name(2S)-2-methyl-6-tetradecoxyoxan-3-ol
SMILESCCCCCCCCCCCCCCOC1CCC(O)[C@H](C)O1
InChIInChI=1S/C20H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-20-16-15-19(21)18(2)23-20/h18-21H,3-17H2,1-2H3/t18-,19?,20?/m0/s1
InChIKeyYJSIWJQEHBPKQT-HDYDNRTBSA-N
XLogP5.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hexoxy-2-(trifluoromethyl)oxan-3-ol
CID 19389373
2-decoxy-6-methyloxane
CID 160930984
(2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane
CID 59926190
(2R)-6-methoxy-2-methyloxan-3-ol
CID 145387170
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
[(2S,3S,4S,6R)-3-acetyloxy-6-dodecoxy-2-methyloxan-4-yl] acetate
CID 102214811
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol
CID 121434694
4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine
CID 153365543
(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol
CID 146246874

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-tetradecoxyoxan-3-ol?
The IUPAC name of (2S)-2-methyl-6-tetradecoxyoxan-3-ol (CID 144591243) is (2S)-2-methyl-6-tetradecoxyoxan-3-ol.
What is the SMILES notation for (2S)-2-methyl-6-tetradecoxyoxan-3-ol?
The canonical SMILES for (2S)-2-methyl-6-tetradecoxyoxan-3-ol is CCCCCCCCCCCCCCOC1CCC(O)[C@H](C)O1.
What is the InChIKey of (2S)-2-methyl-6-tetradecoxyoxan-3-ol?
The InChIKey is YJSIWJQEHBPKQT-HDYDNRTBSA-N. The full InChI is InChI=1S/C20H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-20-16-15-19(21)18(2)23-20/h18-21H,3-17H2,1-2H3/t18-,19?,20?/m0/s1.
What are the key properties of (2S)-2-methyl-6-tetradecoxyoxan-3-ol?
(2S)-2-methyl-6-tetradecoxyoxan-3-ol has a molecular weight of 328.54 g/mol, XLogP of 5.59, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-tetradecoxyoxan-3-ol is sourced from PubChem (CID 144591243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).