ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol

C18H40O5 — CID 143470702

IUPACethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol
SMILESCC.CC(O)C1CC(OCC(O)CO)C(C)O1.CCCCCC
InChIInChI=1S/C10H20O5.C6H14.C2H6/c1-6(12)9-3-10(7(2)15-9)14-5-8(13)4-11;1-3-5-6-4-2;1-2/h6-13H,3-5H2,1-2H3;3-6H2,1-2H3;1-2H3
InChIKeyXXDCDEUPRRZGMJ-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.90
Rot. Bonds8

About ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol

ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol (PubChem CID 143470702) has the molecular formula C18H40O5 and a molecular weight of 336.51 g/mol. Its IUPAC name is ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Nameethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol
PubChem CID143470702
Molecular FormulaC18H40O5
Molecular Weight336.51 g/mol
Exact Mass336.29
IUPAC Nameethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol
SMILESCC.CC(O)C1CC(OCC(O)CO)C(C)O1.CCCCCC
InChIInChI=1S/C10H20O5.C6H14.C2H6/c1-6(12)9-3-10(7(2)15-9)14-5-8(13)4-11;1-3-5-6-4-2;1-2/h6-13H,3-5H2,1-2H3;3-6H2,1-2H3;1-2H3
InChIKeyXXDCDEUPRRZGMJ-UHFFFAOYSA-N
XLogP2.90
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol
CID 71267956
4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol
CID 143470723
(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol
CID 121291371
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
ethane;3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane;hydrate
CID 145159351
hexane;2-methylpropan-1-ol
CID 19979471
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
CID 143832011
3-(2,3-dihydroxypropoxy)propane-1,2-diol;hexadecane;icosan-9-ol
CID 174724990
3-hexadecylperoxypropane-1,2-diol
CID 57090366
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114

Frequently Asked Questions

What is the IUPAC name of ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol?
The IUPAC name of ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol (CID 143470702) is ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol.
What is the SMILES notation for ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol?
The canonical SMILES for ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol is CC.CC(O)C1CC(OCC(O)CO)C(C)O1.CCCCCC.
What is the InChIKey of ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol?
The InChIKey is XXDCDEUPRRZGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5.C6H14.C2H6/c1-6(12)9-3-10(7(2)15-9)14-5-8(13)4-11;1-3-5-6-4-2;1-2/h6-13H,3-5H2,1-2H3;3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol?
ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol has a molecular weight of 336.51 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol is sourced from PubChem (CID 143470702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).