benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane

C90H182O9 — CID 163693929

IUPACbenzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCOC(C)OC.CCOC(C)Oc1ccccc1.COC(C)Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C10H14O2.C9H12O2.3C6H6O.C6H6.C5H12O2.6C3H8.12C2H6/c1-3-11-9(2)12-10-7-5-4-6-8-10;1-8(10-2)11-9-6-4-3-5-7-9;3*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-4-7-5(2)6-3;6*1-3-2;12*1-2/h4-9H,3H2,1-2H3;3-8H,1-2H3;3*1-5,7H;1-6H;5H,4H2,1-3H3;6*3H2,1-2H3;12*1-2H3
InChIKeyJVHWWPPIHKGTAZ-UHFFFAOYSA-N
MW1408.44 g/mol
LogP32.20
Rot. Bonds10

About benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane

benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane (PubChem CID 163693929) has the molecular formula C90H182O9 and a molecular weight of 1408.44 g/mol. Its IUPAC name is benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane.

Molecular Properties

Compound Namebenzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane
PubChem CID163693929
Molecular FormulaC90H182O9
Molecular Weight1408.44 g/mol
Exact Mass1407.38
IUPAC Namebenzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCOC(C)OC.CCOC(C)Oc1ccccc1.COC(C)Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C10H14O2.C9H12O2.3C6H6O.C6H6.C5H12O2.6C3H8.12C2H6/c1-3-11-9(2)12-10-7-5-4-6-8-10;1-8(10-2)11-9-6-4-3-5-7-9;3*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-4-7-5(2)6-3;6*1-3-2;12*1-2/h4-9H,3H2,1-2H3;3-8H,1-2H3;3*1-5,7H;1-6H;5H,4H2,1-3H3;6*3H2,1-2H3;12*1-2H3
InChIKeyJVHWWPPIHKGTAZ-UHFFFAOYSA-N
XLogP32.20
TPSA116.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001408.44
LogP ≤ 532.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955
1-methoxyethoxybenzene
CID 18188895
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
CID 23546598
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784
carbanide;ethane;1-ethoxyethoxybenzene;methane;1-methoxyethoxybenzene;1-[2-(1-methoxyethoxy)ethoxy]propane;methoxymethoxybenzene;phenol;phenyl-(2,3,4-trimethoxyphenyl)methanone;propane;rhenium;rhodium
CID 163470821
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
CID 22345861
1-(2-bromoethoxy)ethoxybenzene
CID 69208548
benzene;phenol;propane
CID 157176896
ethyl 1-phenoxyethyl carbonate
CID 173360681
sodium;bis[4-[4-(1-ethoxyethoxy)phenoxy]phenyl]-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;bis[4-(4-hydroxyphenoxy)phenyl]-phenylsulfanium;4-(1-ethoxyethoxy)phenol;hydride;trichloride;hydrochloride
CID 163750616

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane?
The IUPAC name of benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane (CID 163693929) is benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane.
What is the SMILES notation for benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane?
The canonical SMILES for benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCOC(C)OC.CCOC(C)Oc1ccccc1.COC(C)Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane?
The InChIKey is JVHWWPPIHKGTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C9H12O2.3C6H6O.C6H6.C5H12O2.6C3H8.12C2H6/c1-3-11-9(2)12-10-7-5-4-6-8-10;1-8(10-2)11-9-6-4-3-5-7-9;3*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-4-7-5(2)6-3;6*1-3-2;12*1-2/h4-9H,3H2,1-2H3;3-8H,1-2H3;3*1-5,7H;1-6H;5H,4H2,1-3H3;6*3H2,1-2H3;12*1-2H3.
What are the key properties of benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane?
benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane has a molecular weight of 1408.44 g/mol, XLogP of 32.20, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane is sourced from PubChem (CID 163693929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).