ethane;methanol;2-methyloxane;oxan-2-ylmethanol

C19H46O4 — CID 159746076

IUPACethane;methanol;2-methyloxane;oxan-2-ylmethanol
SMILESCC.CC.CC.CC1CCCCO1.CO.OCC1CCCCO1
InChIInChI=1S/C6H12O2.C6H12O.3C2H6.CH4O/c7-5-6-3-1-2-4-8-6;1-6-4-2-3-5-7-6;4*1-2/h6-7H,1-5H2;6H,2-5H2,1H3;3*1-2H3;2H,1H3
InChIKeyNDBGCVJFAYSOHA-UHFFFAOYSA-N
MW338.57 g/mol
LogP4.81
Rot. Bonds1

About ethane;methanol;2-methyloxane;oxan-2-ylmethanol

ethane;methanol;2-methyloxane;oxan-2-ylmethanol (PubChem CID 159746076) has the molecular formula C19H46O4 and a molecular weight of 338.57 g/mol. Its IUPAC name is ethane;methanol;2-methyloxane;oxan-2-ylmethanol.

Molecular Properties

Compound Nameethane;methanol;2-methyloxane;oxan-2-ylmethanol
PubChem CID159746076
Molecular FormulaC19H46O4
Molecular Weight338.57 g/mol
Exact Mass338.34
IUPAC Nameethane;methanol;2-methyloxane;oxan-2-ylmethanol
SMILESCC.CC.CC.CC1CCCCO1.CO.OCC1CCCCO1
InChIInChI=1S/C6H12O2.C6H12O.3C2H6.CH4O/c7-5-6-3-1-2-4-8-6;1-6-4-2-3-5-7-6;4*1-2/h6-7H,1-5H2;6H,2-5H2,1H3;3*1-2H3;2H,1H3
InChIKeyNDBGCVJFAYSOHA-UHFFFAOYSA-N
XLogP4.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
[(2S)-oxan-2-yl]methanol
CID 6950811
ethanol;oxan-2-ylmethanol
CID 66900182
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
methylcyclohexane;oxan-2-ylmethanol
CID 143263270
oxolan-2-ylmethanol;hydrochloride
CID 155166529
hydron;oxolan-2-ylmethanol
CID 174439667
2-methyloxane;propane
CID 171074580
2-methyloxane;hydrochloride
CID 141105834
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
oxane;oxolan-2-ylmethanol
CID 70368060
furan-2-ylmethanol;2-methyloxetane;oxan-2-ylmethanol;oxolan-2-ylmethanol
CID 159609669

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;2-methyloxane;oxan-2-ylmethanol?
The IUPAC name of ethane;methanol;2-methyloxane;oxan-2-ylmethanol (CID 159746076) is ethane;methanol;2-methyloxane;oxan-2-ylmethanol.
What is the SMILES notation for ethane;methanol;2-methyloxane;oxan-2-ylmethanol?
The canonical SMILES for ethane;methanol;2-methyloxane;oxan-2-ylmethanol is CC.CC.CC.CC1CCCCO1.CO.OCC1CCCCO1.
What is the InChIKey of ethane;methanol;2-methyloxane;oxan-2-ylmethanol?
The InChIKey is NDBGCVJFAYSOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C6H12O.3C2H6.CH4O/c7-5-6-3-1-2-4-8-6;1-6-4-2-3-5-7-6;4*1-2/h6-7H,1-5H2;6H,2-5H2,1H3;3*1-2H3;2H,1H3.
What are the key properties of ethane;methanol;2-methyloxane;oxan-2-ylmethanol?
ethane;methanol;2-methyloxane;oxan-2-ylmethanol has a molecular weight of 338.57 g/mol, XLogP of 4.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;2-methyloxane;oxan-2-ylmethanol is sourced from PubChem (CID 159746076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).