1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane

C17H32O2 — CID 162050346

IUPAC1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane
SMILESC.C.CCC(C)c1ccc(OC(OC)C(C)C)cc1
InChIInChI=1S/C15H24O2.2CH4/c1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;;/h7-12,15H,6H2,1-5H3;2*1H4
InChIKeyYYLSDZSRPKOZOI-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.48
Rot. Bonds6

About 1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane

1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane (PubChem CID 162050346) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane.

Molecular Properties

Compound Name1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane
PubChem CID162050346
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane
SMILESC.C.CCC(C)c1ccc(OC(OC)C(C)C)cc1
InChIInChI=1S/C15H24O2.2CH4/c1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;;/h7-12,15H,6H2,1-5H3;2*1H4
InChIKeyYYLSDZSRPKOZOI-UHFFFAOYSA-N
XLogP5.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene
CID 58900963
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;4-butan-2-ylphenol;1,2-dimethyl-1,2-dihydroacenaphthylene
CID 162237214
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
2-[(4-butan-2-ylphenoxy)-methoxymethyl]-1,3-difluorobenzene
CID 176636669
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
3-amino-2-(4-butan-2-ylphenoxy)-4-methylpentan-1-ol
CID 107664252
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane?
The IUPAC name of 1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane (CID 162050346) is 1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane.
What is the SMILES notation for 1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane?
The canonical SMILES for 1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane is C.C.CCC(C)c1ccc(OC(OC)C(C)C)cc1.
What is the InChIKey of 1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane?
The InChIKey is YYLSDZSRPKOZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.2CH4/c1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;;/h7-12,15H,6H2,1-5H3;2*1H4.
What are the key properties of 1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane?
1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane has a molecular weight of 268.44 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane is sourced from PubChem (CID 162050346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).