1,2-bis(butan-2-yloxymethyl)benzene

C16H26O2 — CID 21285753

IUPAC1,2-bis(butan-2-yloxymethyl)benzene
SMILESCCC(C)OCc1ccccc1COC(C)CC
InChIInChI=1S/C16H26O2/c1-5-13(3)17-11-15-9-7-8-10-16(15)12-18-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyYALIPZOOYXAGFD-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.32
Rot. Bonds8

About 1,2-bis(butan-2-yloxymethyl)benzene

1,2-bis(butan-2-yloxymethyl)benzene (PubChem CID 21285753) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,2-bis(butan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1,2-bis(butan-2-yloxymethyl)benzene
PubChem CID21285753
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1,2-bis(butan-2-yloxymethyl)benzene
SMILESCCC(C)OCc1ccccc1COC(C)CC
InChIInChI=1S/C16H26O2/c1-5-13(3)17-11-15-9-7-8-10-16(15)12-18-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyYALIPZOOYXAGFD-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-yloxymethylbenzene;ethane
CID 161043537
2-amino-6-(butan-2-yloxymethyl)benzoic acid
CID 104825450
[2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine
CID 103487025
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
1-(butan-2-yloxymethyl)-3-chloro-2-nitrobenzene
CID 91725539
[[2-(butan-2-yloxymethyl)phenyl]methylideneamino]urea
CID 168532054
1-(pentan-2-yloxymethyl)naphthalene
CID 174371768
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
2-(butan-2-yloxymethyl)furan
CID 118563774
[2-(propan-2-yloxymethyl)phenyl]methanamine
CID 18070374
N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine
CID 62565595
2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 102987023

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(butan-2-yloxymethyl)benzene?
The IUPAC name of 1,2-bis(butan-2-yloxymethyl)benzene (CID 21285753) is 1,2-bis(butan-2-yloxymethyl)benzene.
What is the SMILES notation for 1,2-bis(butan-2-yloxymethyl)benzene?
The canonical SMILES for 1,2-bis(butan-2-yloxymethyl)benzene is CCC(C)OCc1ccccc1COC(C)CC.
What is the InChIKey of 1,2-bis(butan-2-yloxymethyl)benzene?
The InChIKey is YALIPZOOYXAGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-13(3)17-11-15-9-7-8-10-16(15)12-18-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of 1,2-bis(butan-2-yloxymethyl)benzene?
1,2-bis(butan-2-yloxymethyl)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(butan-2-yloxymethyl)benzene is sourced from PubChem (CID 21285753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).