(2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane

C10H22O — CID 88654618

IUPAC(2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane
SMILESCC[C@H](C)COC[C@@H](C)CC
InChIInChI=1S/C10H22O/c1-5-9(3)7-11-8-10(4)6-2/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyLTGKJZSYWAITRI-UWVGGRQHSA-N
MW158.28 g/mol
LogP3.10
Rot. Bonds6

About (2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane

(2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane (PubChem CID 88654618) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane
PubChem CID88654618
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane
SMILESCC[C@H](C)COC[C@@H](C)CC
InChIInChI=1S/C10H22O/c1-5-9(3)7-11-8-10(4)6-2/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyLTGKJZSYWAITRI-UWVGGRQHSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane?
The IUPAC name of (2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane (CID 88654618) is (2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane.
What is the SMILES notation for (2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane?
The canonical SMILES for (2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane is CC[C@H](C)COC[C@@H](C)CC.
What is the InChIKey of (2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane?
The InChIKey is LTGKJZSYWAITRI-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22O/c1-5-9(3)7-11-8-10(4)6-2/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane?
(2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane has a molecular weight of 158.28 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(2S)-2-methylbutoxy]butane is sourced from PubChem (CID 88654618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).