(2S)-1-butoxy-3-methoxy-2-methylpropane

C9H20O2 — CID 90383590

IUPAC(2S)-1-butoxy-3-methoxy-2-methylpropane
SMILESCCCCOC[C@@H](C)COC
InChIInChI=1S/C9H20O2/c1-4-5-6-11-8-9(2)7-10-3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyUNVJJZOUMWPJEC-VIFPVBQESA-N
MW160.26 g/mol
LogP2.09
Rot. Bonds7

About (2S)-1-butoxy-3-methoxy-2-methylpropane

(2S)-1-butoxy-3-methoxy-2-methylpropane (PubChem CID 90383590) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is (2S)-1-butoxy-3-methoxy-2-methylpropane.

Molecular Properties

Compound Name(2S)-1-butoxy-3-methoxy-2-methylpropane
PubChem CID90383590
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name(2S)-1-butoxy-3-methoxy-2-methylpropane
SMILESCCCCOC[C@@H](C)COC
InChIInChI=1S/C9H20O2/c1-4-5-6-11-8-9(2)7-10-3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyUNVJJZOUMWPJEC-VIFPVBQESA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-thiol
CID 104568101
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-methoxy-2-methyldecane
CID 13444249
(2S)-1-butoxypropan-2-ol
CID 54289557
1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
CID 129036094
1-(3-methoxy-2-propoxypropoxy)butane
CID 90999549
2-methyl-3-pentoxypropan-1-ol
CID 56616960
1-methoxy-2,12-dimethyldocosane
CID 91752253
(2S)-5-butoxy-2,4-dimethylpentanal
CID 89205159
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
3-(2-methylhexoxy)propan-1-ol
CID 134975986

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butoxy-3-methoxy-2-methylpropane?
The IUPAC name of (2S)-1-butoxy-3-methoxy-2-methylpropane (CID 90383590) is (2S)-1-butoxy-3-methoxy-2-methylpropane.
What is the SMILES notation for (2S)-1-butoxy-3-methoxy-2-methylpropane?
The canonical SMILES for (2S)-1-butoxy-3-methoxy-2-methylpropane is CCCCOC[C@@H](C)COC.
What is the InChIKey of (2S)-1-butoxy-3-methoxy-2-methylpropane?
The InChIKey is UNVJJZOUMWPJEC-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20O2/c1-4-5-6-11-8-9(2)7-10-3/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-1-butoxy-3-methoxy-2-methylpropane?
(2S)-1-butoxy-3-methoxy-2-methylpropane has a molecular weight of 160.26 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butoxy-3-methoxy-2-methylpropane is sourced from PubChem (CID 90383590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).