ethane;bis(1-methoxybutan-1-ol)

C12H30O4 — CID 144737274

IUPACethane;bis(1-methoxybutan-1-ol)
SMILESCC.CCCC(O)OC.CCCC(O)OC
InChIInChI=1S/2C5H12O2.C2H6/c2*1-3-4-5(6)7-2;1-2/h2*5-6H,3-4H2,1-2H3;1-2H3
InChIKeySPLXRDCTFRXSOI-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.53
Rot. Bonds6

About ethane;bis(1-methoxybutan-1-ol)

ethane;bis(1-methoxybutan-1-ol) (PubChem CID 144737274) has the molecular formula C12H30O4 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;bis(1-methoxybutan-1-ol).

Molecular Properties

Compound Nameethane;bis(1-methoxybutan-1-ol)
PubChem CID144737274
Molecular FormulaC12H30O4
Molecular Weight238.37 g/mol
Exact Mass238.21
IUPAC Nameethane;bis(1-methoxybutan-1-ol)
SMILESCC.CCCC(O)OC.CCCC(O)OC
InChIInChI=1S/2C5H12O2.C2H6/c2*1-3-4-5(6)7-2;1-2/h2*5-6H,3-4H2,1-2H3;1-2H3
InChIKeySPLXRDCTFRXSOI-UHFFFAOYSA-N
XLogP2.53
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxyhenicosan-1-ol
CID 138403001
1-methoxydodecan-1-ol
CID 19981343
1-methoxytetradecan-1-ol
CID 19981330
1-methoxypropan-1-ol;hydrate
CID 141025991
1-methoxypropan-1-ol;silane
CID 174772111
6-methoxyhexane-1,1,6-triol
CID 155462430
1-methoxy-5-methylhexan-1-ol
CID 167712428
1-methoxy-3-(trimethoxymethoxy)propan-1-ol;tris(propan-1-ol)
CID 173437150
1-but-2-enoxybutan-1-ol
CID 141328294
(2S,3R,4R)-3-methoxyheptane-2,4-diol
CID 10012212
ethane;3-methoxy-2-methylhexan-2-ol
CID 171072389
3-methoxyheptan-4-ol
CID 54045994

Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-methoxybutan-1-ol)?
The IUPAC name of ethane;bis(1-methoxybutan-1-ol) (CID 144737274) is ethane;bis(1-methoxybutan-1-ol).
What is the SMILES notation for ethane;bis(1-methoxybutan-1-ol)?
The canonical SMILES for ethane;bis(1-methoxybutan-1-ol) is CC.CCCC(O)OC.CCCC(O)OC.
What is the InChIKey of ethane;bis(1-methoxybutan-1-ol)?
The InChIKey is SPLXRDCTFRXSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12O2.C2H6/c2*1-3-4-5(6)7-2;1-2/h2*5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;bis(1-methoxybutan-1-ol)?
ethane;bis(1-methoxybutan-1-ol) has a molecular weight of 238.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-methoxybutan-1-ol) is sourced from PubChem (CID 144737274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).