1-(3-methylbutoxy)-3-(3-methylbutyl)benzene

C16H26O — CID 142307265

IUPAC1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
SMILESCC(C)CCOc1cccc(CCC(C)C)c1
InChIInChI=1S/C16H26O/c1-13(2)8-9-15-6-5-7-16(12-15)17-11-10-14(3)4/h5-7,12-14H,8-11H2,1-4H3
InChIKeyNKQAAVMKFMQBGG-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.70
Rot. Bonds7

About 1-(3-methylbutoxy)-3-(3-methylbutyl)benzene

1-(3-methylbutoxy)-3-(3-methylbutyl)benzene (PubChem CID 142307265) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(3-methylbutoxy)-3-(3-methylbutyl)benzene.

Molecular Properties

Compound Name1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
PubChem CID142307265
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
SMILESCC(C)CCOc1cccc(CCC(C)C)c1
InChIInChI=1S/C16H26O/c1-13(2)8-9-15-6-5-7-16(12-15)17-11-10-14(3)4/h5-7,12-14H,8-11H2,1-4H3
InChIKeyNKQAAVMKFMQBGG-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307264
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
CID 142090571
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
3-(3-methylbutoxy)-N-(2-phenylethyl)aniline
CID 54800482
1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
CID 54803819
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutoxy)-3-(3-methylbutyl)benzene?
The IUPAC name of 1-(3-methylbutoxy)-3-(3-methylbutyl)benzene (CID 142307265) is 1-(3-methylbutoxy)-3-(3-methylbutyl)benzene.
What is the SMILES notation for 1-(3-methylbutoxy)-3-(3-methylbutyl)benzene?
The canonical SMILES for 1-(3-methylbutoxy)-3-(3-methylbutyl)benzene is CC(C)CCOc1cccc(CCC(C)C)c1.
What is the InChIKey of 1-(3-methylbutoxy)-3-(3-methylbutyl)benzene?
The InChIKey is NKQAAVMKFMQBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-13(2)8-9-15-6-5-7-16(12-15)17-11-10-14(3)4/h5-7,12-14H,8-11H2,1-4H3.
What are the key properties of 1-(3-methylbutoxy)-3-(3-methylbutyl)benzene?
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene has a molecular weight of 234.38 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutoxy)-3-(3-methylbutyl)benzene is sourced from PubChem (CID 142307265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).