2-methyl-1-pentan-3-yloxybutane

C10H22O — CID 23377308

IUPAC2-methyl-1-pentan-3-yloxybutane
SMILESCCC(C)COC(CC)CC
InChIInChI=1S/C10H22O/c1-5-9(4)8-11-10(6-2)7-3/h9-10H,5-8H2,1-4H3
InChIKeyRQQOOQFCLJRIDX-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds6

About 2-methyl-1-pentan-3-yloxybutane

2-methyl-1-pentan-3-yloxybutane (PubChem CID 23377308) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-methyl-1-pentan-3-yloxybutane.

Molecular Properties

Compound Name2-methyl-1-pentan-3-yloxybutane
PubChem CID23377308
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-methyl-1-pentan-3-yloxybutane
SMILESCCC(C)COC(CC)CC
InChIInChI=1S/C10H22O/c1-5-9(4)8-11-10(6-2)7-3/h9-10H,5-8H2,1-4H3
InChIKeyRQQOOQFCLJRIDX-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-[bis[(2S)-2-methylbutoxy]methoxy]-2-methylbutane
CID 134895103
ethane;2-methyl-1-propan-2-yloxybutane
CID 143253111
1,2-bis(2-methylbutoxy)hexane
CID 71465095
(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
CID 150908774
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol
CID 59752417
methane;1-methoxy-2-methylbutane;3-methoxypentane
CID 160866312
3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane
CID 90195811
(3S)-3-(2-methylbutoxy)butan-1-ol
CID 87892017
3-(2-methylbutoxy)butan-1-ol
CID 87892018
methane;1-methoxy-2-methylbutane
CID 159281556
1-(1-butoxyethoxy)-2-methylbutane
CID 90476041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentan-3-yloxybutane?
The IUPAC name of 2-methyl-1-pentan-3-yloxybutane (CID 23377308) is 2-methyl-1-pentan-3-yloxybutane.
What is the SMILES notation for 2-methyl-1-pentan-3-yloxybutane?
The canonical SMILES for 2-methyl-1-pentan-3-yloxybutane is CCC(C)COC(CC)CC.
What is the InChIKey of 2-methyl-1-pentan-3-yloxybutane?
The InChIKey is RQQOOQFCLJRIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-9(4)8-11-10(6-2)7-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-pentan-3-yloxybutane?
2-methyl-1-pentan-3-yloxybutane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentan-3-yloxybutane is sourced from PubChem (CID 23377308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).