ethene;nonoxybenzene;sulfane

C17H30OS — CID 174919596

IUPACethene;nonoxybenzene;sulfane
SMILESC=C.CCCCCCCCCOc1ccccc1.S
InChIInChI=1S/C15H24O.C2H4.H2S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15;1-2;/h8-10,12-13H,2-7,11,14H2,1H3;1-2H2;1H2
InChIKeyIIECMSXHXDRQPU-UHFFFAOYSA-N
MW282.49 g/mol
LogP5.73
Rot. Bonds9

About ethene;nonoxybenzene;sulfane

ethene;nonoxybenzene;sulfane (PubChem CID 174919596) has the molecular formula C17H30OS and a molecular weight of 282.49 g/mol. Its IUPAC name is ethene;nonoxybenzene;sulfane.

Molecular Properties

Compound Nameethene;nonoxybenzene;sulfane
PubChem CID174919596
Molecular FormulaC17H30OS
Molecular Weight282.49 g/mol
Exact Mass282.20
IUPAC Nameethene;nonoxybenzene;sulfane
SMILESC=C.CCCCCCCCCOc1ccccc1.S
InChIInChI=1S/C15H24O.C2H4.H2S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15;1-2;/h8-10,12-13H,2-7,11,14H2,1H3;1-2H2;1H2
InChIKeyIIECMSXHXDRQPU-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.49
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodecoxybenzene;ethene;hydrate
CID 174804981
pentoxybenzene;undecane
CID 174778179
ethene;nonoxybenzene;phenoxybenzene
CID 174749747
2-dodecoxyethoxybenzene
CID 67831231
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
penta-1,4-diene;pentoxybenzene
CID 174999180
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
nonoxymethoxybenzene
CID 151123684
2-pentoxyethoxybenzene
CID 54431229
hexatriacontoxymethoxybenzene
CID 21131247

Frequently Asked Questions

What is the IUPAC name of ethene;nonoxybenzene;sulfane?
The IUPAC name of ethene;nonoxybenzene;sulfane (CID 174919596) is ethene;nonoxybenzene;sulfane.
What is the SMILES notation for ethene;nonoxybenzene;sulfane?
The canonical SMILES for ethene;nonoxybenzene;sulfane is C=C.CCCCCCCCCOc1ccccc1.S.
What is the InChIKey of ethene;nonoxybenzene;sulfane?
The InChIKey is IIECMSXHXDRQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C2H4.H2S/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15;1-2;/h8-10,12-13H,2-7,11,14H2,1H3;1-2H2;1H2.
What are the key properties of ethene;nonoxybenzene;sulfane?
ethene;nonoxybenzene;sulfane has a molecular weight of 282.49 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;nonoxybenzene;sulfane is sourced from PubChem (CID 174919596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).