ethane;2-methoxybutan-1-ol

C7H18O2 — CID 174440725

IUPACethane;2-methoxybutan-1-ol
SMILESCC.CCC(CO)OC
InChIInChI=1S/C5H12O2.C2H6/c1-3-5(4-6)7-2;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyZLPLSUNMSPFLFZ-UHFFFAOYSA-N
MW134.22 g/mol
LogP1.43
Rot. Bonds3

About ethane;2-methoxybutan-1-ol

ethane;2-methoxybutan-1-ol (PubChem CID 174440725) has the molecular formula C7H18O2 and a molecular weight of 134.22 g/mol. Its IUPAC name is ethane;2-methoxybutan-1-ol.

Molecular Properties

Compound Nameethane;2-methoxybutan-1-ol
PubChem CID174440725
Molecular FormulaC7H18O2
Molecular Weight134.22 g/mol
Exact Mass134.13
IUPAC Nameethane;2-methoxybutan-1-ol
SMILESCC.CCC(CO)OC
InChIInChI=1S/C5H12O2.C2H6/c1-3-5(4-6)7-2;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyZLPLSUNMSPFLFZ-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-ethoxybutan-1-ol
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2-methoxyhexan-1-ol
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3-(ethylamino)-2-methoxypropan-1-ol
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(2S)-2-methoxy-3-(methylamino)propan-1-ol
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CID 91306225
(2S)-2-methoxybutan-1-amine
CID 42427147
1-chloro-2-methoxybutane
CID 20783140
2-(2-ethoxy-1-methoxyethoxy)butan-1-ol
CID 118017313
2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol
CID 59456671
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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxybutan-1-ol?
The IUPAC name of ethane;2-methoxybutan-1-ol (CID 174440725) is ethane;2-methoxybutan-1-ol.
What is the SMILES notation for ethane;2-methoxybutan-1-ol?
The canonical SMILES for ethane;2-methoxybutan-1-ol is CC.CCC(CO)OC.
What is the InChIKey of ethane;2-methoxybutan-1-ol?
The InChIKey is ZLPLSUNMSPFLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C2H6/c1-3-5(4-6)7-2;1-2/h5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methoxybutan-1-ol?
ethane;2-methoxybutan-1-ol has a molecular weight of 134.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxybutan-1-ol is sourced from PubChem (CID 174440725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).