ethylbenzene;methane;styrene;hydrate

C17H24O — CID 169425917

IUPACethylbenzene;methane;styrene;hydrate
SMILESC.C=Cc1ccccc1.CCc1ccccc1.O
InChIInChI=1S/C8H10.C8H8.CH4.H2O/c2*1-2-8-6-4-3-5-7-8;;/h3-7H,2H2,1H3;2-7H,1H2;1H4;1H2
InChIKeyNYJYUFXDBWXXKF-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.39
Rot. Bonds2

About ethylbenzene;methane;styrene;hydrate

ethylbenzene;methane;styrene;hydrate (PubChem CID 169425917) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is ethylbenzene;methane;styrene;hydrate.

Molecular Properties

Compound Nameethylbenzene;methane;styrene;hydrate
PubChem CID169425917
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Nameethylbenzene;methane;styrene;hydrate
SMILESC.C=Cc1ccccc1.CCc1ccccc1.O
InChIInChI=1S/C8H10.C8H8.CH4.H2O/c2*1-2-8-6-4-3-5-7-8;;/h3-7H,2H2,1H3;2-7H,1H2;1H4;1H2
InChIKeyNYJYUFXDBWXXKF-UHFFFAOYSA-N
XLogP4.39
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
CID 137319863
1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
CID 159036970
chloromethane;styrene
CID 122701035
benzene;ethene;styrene
CID 159006852
CID 57450570
CID 57450570
styrene;tetrahydrofluoride
CID 68985344
ethane;ethylbenzene
CID 90887003
sulfanium ethylbenzene
CID 22726309

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;methane;styrene;hydrate?
The IUPAC name of ethylbenzene;methane;styrene;hydrate (CID 169425917) is ethylbenzene;methane;styrene;hydrate.
What is the SMILES notation for ethylbenzene;methane;styrene;hydrate?
The canonical SMILES for ethylbenzene;methane;styrene;hydrate is C.C=Cc1ccccc1.CCc1ccccc1.O.
What is the InChIKey of ethylbenzene;methane;styrene;hydrate?
The InChIKey is NYJYUFXDBWXXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C8H8.CH4.H2O/c2*1-2-8-6-4-3-5-7-8;;/h3-7H,2H2,1H3;2-7H,1H2;1H4;1H2.
What are the key properties of ethylbenzene;methane;styrene;hydrate?
ethylbenzene;methane;styrene;hydrate has a molecular weight of 244.38 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;methane;styrene;hydrate is sourced from PubChem (CID 169425917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).