1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene

C74H128O8 — CID 162180885

IUPAC1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene
SMILESCCC(C)(C)c1cccc(OC2(C)CCCC2)c1.CCC(C)(CC)Oc1cccc(C(C)(C)CC)c1.CCC(C)c1cccc(OC(C)(CC)CC)c1.CCC(C)c1cccc(OC2(C)CCCC2)c1.COC.COC.COC.COC
InChIInChI=1S/C17H26O.C17H28O.C16H24O.C16H26O.4C2H6O/c1-5-16(2,3)14-9-8-10-15(13-14)18-17(4)11-6-7-12-17;1-7-16(4,5)14-11-10-12-15(13-14)18-17(6,8-2)9-3;1-4-13(2)14-8-7-9-15(12-14)17-16(3)10-5-6-11-16;1-6-13(4)14-10-9-11-15(12-14)17-16(5,7-2)8-3;4*1-3-2/h8-10,13H,5-7,11-12H2,1-4H3;10-13H,7-9H2,1-6H3;7-9,12-13H,4-6,10-11H2,1-3H3;9-13H,6-8H2,1-5H3;4*1-2H3
InChIKeyZOZQRWJQSQFSBC-UHFFFAOYSA-N
MW1145.83 g/mol
LogP21.54
Rot. Bonds20

About 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene

1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene (PubChem CID 162180885) has the molecular formula C74H128O8 and a molecular weight of 1145.83 g/mol. Its IUPAC name is 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene
PubChem CID162180885
Molecular FormulaC74H128O8
Molecular Weight1145.83 g/mol
Exact Mass1144.96
IUPAC Name1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene
SMILESCCC(C)(C)c1cccc(OC2(C)CCCC2)c1.CCC(C)(CC)Oc1cccc(C(C)(C)CC)c1.CCC(C)c1cccc(OC(C)(CC)CC)c1.CCC(C)c1cccc(OC2(C)CCCC2)c1.COC.COC.COC.COC
InChIInChI=1S/C17H26O.C17H28O.C16H24O.C16H26O.4C2H6O/c1-5-16(2,3)14-9-8-10-15(13-14)18-17(4)11-6-7-12-17;1-7-16(4,5)14-11-10-12-15(13-14)18-17(6,8-2)9-3;1-4-13(2)14-8-7-9-15(12-14)17-16(3)10-5-6-11-16;1-6-13(4)14-10-9-11-15(12-14)17-16(5,7-2)8-3;4*1-3-2/h8-10,13H,5-7,11-12H2,1-4H3;10-13H,7-9H2,1-6H3;7-9,12-13H,4-6,10-11H2,1-3H3;9-13H,6-8H2,1-5H3;4*1-2H3
InChIKeyZOZQRWJQSQFSBC-UHFFFAOYSA-N
XLogP21.54
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001145.83
LogP ≤ 521.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene with MolForge

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Related Compounds

bis(1-butan-2-yl-4-(1-methylcyclohexyl)oxybenzene);tris(1-methoxy-1-methylcyclohexane);2-methoxy-2-methylpropane;1-(2-methylbutan-2-yl)-4-(1-methylcyclohexyl)oxybenzene;1-(2-methylbutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 159170843
4-butan-2-yl-2-(1-methylcyclopentyl)oxy-1-(trifluoromethoxy)benzene
CID 170539185
(1-methylcyclopentyl) 3-butan-2-ylbenzoate
CID 59409248
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
4-butan-2-ylphenol;[3-fluoro-4-(1-methylcyclohexyl)oxyphenyl] 2,2-dimethylbutanoate
CID 165021361
1-methyl-1-phenoxycycloheptane
CID 101026780
1-butan-2-yl-3-[2-(4-tert-butylphenyl)-4-methylhexan-2-yl]benzene
CID 91072044
2-butan-2-yl-7-(2-methylbutan-2-yl)phenanthrene
CID 143619990
[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine
CID 82131016
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
2-(3-butan-2-ylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-2-ol
CID 162348155
2-(3-butan-2-ylphenyl)-1-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)propan-2-ol
CID 162348245

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene?
The IUPAC name of 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene (CID 162180885) is 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene.
What is the SMILES notation for 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene?
The canonical SMILES for 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene is CCC(C)(C)c1cccc(OC2(C)CCCC2)c1.CCC(C)(CC)Oc1cccc(C(C)(C)CC)c1.CCC(C)c1cccc(OC(C)(CC)CC)c1.CCC(C)c1cccc(OC2(C)CCCC2)c1.COC.COC.COC.COC.
What is the InChIKey of 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene?
The InChIKey is ZOZQRWJQSQFSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.C17H28O.C16H24O.C16H26O.4C2H6O/c1-5-16(2,3)14-9-8-10-15(13-14)18-17(4)11-6-7-12-17;1-7-16(4,5)14-11-10-12-15(13-14)18-17(6,8-2)9-3;1-4-13(2)14-8-7-9-15(12-14)17-16(3)10-5-6-11-16;1-6-13(4)14-10-9-11-15(12-14)17-16(5,7-2)8-3;4*1-3-2/h8-10,13H,5-7,11-12H2,1-4H3;10-13H,7-9H2,1-6H3;7-9,12-13H,4-6,10-11H2,1-3H3;9-13H,6-8H2,1-5H3;4*1-2H3.
What are the key properties of 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene?
1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene has a molecular weight of 1145.83 g/mol, XLogP of 21.54, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(1-methylcyclopentyl)oxybenzene;1-butan-2-yl-3-(3-methylpentan-3-yloxy)benzene;methoxymethane;1-(2-methylbutan-2-yl)-3-(1-methylcyclopentyl)oxybenzene;1-(2-methylbutan-2-yl)-3-(3-methylpentan-3-yloxy)benzene is sourced from PubChem (CID 162180885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).