benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane

C23H46O4 — CID 90719944

IUPACbenzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane
SMILESC=CCOCC.CC.CCC.CCOCC1CO1.COC.c1ccccc1
InChIInChI=1S/C6H6.C5H10O2.C5H10O.C3H8.C2H6O.C2H6/c1-2-4-6-5-3-1;1-2-6-3-5-4-7-5;1-3-5-6-4-2;2*1-3-2;1-2/h1-6H;5H,2-4H2,1H3;3H,1,4-5H2,2H3;3H2,1-2H3;1-2H3;1-2H3
InChIKeyQSMWQFPBGRHJEB-UHFFFAOYSA-N
MW386.62 g/mol
LogP6.02
Rot. Bonds6

About benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane

benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane (PubChem CID 90719944) has the molecular formula C23H46O4 and a molecular weight of 386.62 g/mol. Its IUPAC name is benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane.

Molecular Properties

Compound Namebenzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane
PubChem CID90719944
Molecular FormulaC23H46O4
Molecular Weight386.62 g/mol
Exact Mass386.34
IUPAC Namebenzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane
SMILESC=CCOCC.CC.CCC.CCOCC1CO1.COC.c1ccccc1
InChIInChI=1S/C6H6.C5H10O2.C5H10O.C3H8.C2H6O.C2H6/c1-2-4-6-5-3-1;1-2-6-3-5-4-7-5;1-3-5-6-4-2;2*1-3-2;1-2/h1-6H;5H,2-4H2,1H3;3H,1,4-5H2,2H3;3H2,1-2H3;1-2H3;1-2H3
InChIKeyQSMWQFPBGRHJEB-UHFFFAOYSA-N
XLogP6.02
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
2-(prop-2-enoxymethyl)oxirane;toluene
CID 174817749
ethene;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174606995
2-(prop-2-enoxymethyl)oxirane;styrene
CID 21400005
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane
CID 174888667
ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
CID 87577916
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
CID 157265170
CID 157265170
2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene
CID 87233413

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane?
The IUPAC name of benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane (CID 90719944) is benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane.
What is the SMILES notation for benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane?
The canonical SMILES for benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane is C=CCOCC.CC.CCC.CCOCC1CO1.COC.c1ccccc1.
What is the InChIKey of benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane?
The InChIKey is QSMWQFPBGRHJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H10O2.C5H10O.C3H8.C2H6O.C2H6/c1-2-4-6-5-3-1;1-2-6-3-5-4-7-5;1-3-5-6-4-2;2*1-3-2;1-2/h1-6H;5H,2-4H2,1H3;3H,1,4-5H2,2H3;3H2,1-2H3;1-2H3;1-2H3.
What are the key properties of benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane?
benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane has a molecular weight of 386.62 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane is sourced from PubChem (CID 90719944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).