ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol

C14H32O4 — CID 168912950

IUPACethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol
SMILESCC.CC.CCCC1OC(OC)C(C)C(O)C1O
InChIInChI=1S/C10H20O4.2C2H6/c1-4-5-7-9(12)8(11)6(2)10(13-3)14-7;2*1-2/h6-12H,4-5H2,1-3H3;2*1-2H3
InChIKeyJLFXBNJGZKPCCJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.57
Rot. Bonds3

About ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol

ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol (PubChem CID 168912950) has the molecular formula C14H32O4 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol.

Molecular Properties

Compound Nameethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol
PubChem CID168912950
Molecular FormulaC14H32O4
Molecular Weight264.41 g/mol
Exact Mass264.23
IUPAC Nameethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol
SMILESCC.CC.CCCC1OC(OC)C(C)C(O)C1O
InChIInChI=1S/C10H20O4.2C2H6/c1-4-5-7-9(12)8(11)6(2)10(13-3)14-7;2*1-2/h6-12H,4-5H2,1-3H3;2*1-2H3
InChIKeyJLFXBNJGZKPCCJ-UHFFFAOYSA-N
XLogP2.57
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(2R,3R,4R,5R,6R)-2-[3-[(2R,3R,4R,5R,6R)-4-hydroxy-6-methoxy-3,5-dimethyloxan-2-yl]propyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 24763935
2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol
CID 143929105
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
3,4-diethyl-2-methoxy-5-methyl-6-propyloxane
CID 22948046
(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol
CID 147741789
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol
CID 54071256
(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 21122764

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol?
The IUPAC name of ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol (CID 168912950) is ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol.
What is the SMILES notation for ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol?
The canonical SMILES for ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol is CC.CC.CCCC1OC(OC)C(C)C(O)C1O.
What is the InChIKey of ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol?
The InChIKey is JLFXBNJGZKPCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4.2C2H6/c1-4-5-7-9(12)8(11)6(2)10(13-3)14-7;2*1-2/h6-12H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol?
ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol has a molecular weight of 264.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol is sourced from PubChem (CID 168912950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).