ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene

C34H56O3 — CID 161131721

IUPACethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene
SMILESC.C.CC.CC.CC(C)C.CCO.CCO.c1ccc2cc(Oc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C20H14O.C4H10.2C2H6O.2C2H6.2CH4/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20;1-4(2)3;2*1-2-3;2*1-2;;/h1-14H;4H,1-3H3;2*3H,2H2,1H3;2*1-2H3;2*1H4
InChIKeyUMGWPMULGVGRAH-UHFFFAOYSA-N
MW512.82 g/mol
LogP10.77
Rot. Bonds2

About ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene

ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene (PubChem CID 161131721) has the molecular formula C34H56O3 and a molecular weight of 512.82 g/mol. Its IUPAC name is ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene.

Molecular Properties

Compound Nameethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene
PubChem CID161131721
Molecular FormulaC34H56O3
Molecular Weight512.82 g/mol
Exact Mass512.42
IUPAC Nameethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene
SMILESC.C.CC.CC.CC(C)C.CCO.CCO.c1ccc2cc(Oc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C20H14O.C4H10.2C2H6O.2C2H6.2CH4/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20;1-4(2)3;2*1-2-3;2*1-2;;/h1-14H;4H,1-3H3;2*3H,2H2,1H3;2*1-2H3;2*1H4
InChIKeyUMGWPMULGVGRAH-UHFFFAOYSA-N
XLogP10.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.82
LogP ≤ 510.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;bis(2-methylpropane);bis(naphthalene-2,6-diol)
CID 158876456
ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene
CID 159154231
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
1-(1-naphthalen-2-yloxyethoxy)naphthalene
CID 173215888
2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium
CID 87580087
ethanol;naphthalene
CID 91408804
(2R)-2-amino-3-phenylpropan-1-ol;2-naphthalen-2-yloxynaphthalene
CID 70294493
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
N-methyl-1-(4-naphthalen-2-yloxyphenyl)ethanamine
CID 43285636
anthracene;ethanol;titanium
CID 160763576
2-ethoxynaphthalene
CID 118978197
2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol
CID 175775609

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene?
The IUPAC name of ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene (CID 161131721) is ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene.
What is the SMILES notation for ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene?
The canonical SMILES for ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene is C.C.CC.CC.CC(C)C.CCO.CCO.c1ccc2cc(Oc3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene?
The InChIKey is UMGWPMULGVGRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O.C4H10.2C2H6O.2C2H6.2CH4/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20;1-4(2)3;2*1-2-3;2*1-2;;/h1-14H;4H,1-3H3;2*3H,2H2,1H3;2*1-2H3;2*1H4.
What are the key properties of ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene?
ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene has a molecular weight of 512.82 g/mol, XLogP of 10.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;methane;2-methylpropane;2-naphthalen-2-yloxynaphthalene is sourced from PubChem (CID 161131721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).