ethylbenzene;hexane;oxolane

C18H32O — CID 86585711

IUPACethylbenzene;hexane;oxolane
SMILESC1CCOC1.CCCCCC.CCc1ccccc1
InChIInChI=1S/C8H10.C6H14.C4H8O/c1-2-8-6-4-3-5-7-8;1-3-5-6-4-2;1-2-4-5-3-1/h3-7H,2H2,1H3;3-6H2,1-2H3;1-4H2
InChIKeyOFVMTEBPNYRBEQ-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.63
Rot. Bonds4

About ethylbenzene;hexane;oxolane

ethylbenzene;hexane;oxolane (PubChem CID 86585711) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is ethylbenzene;hexane;oxolane.

Molecular Properties

Compound Nameethylbenzene;hexane;oxolane
PubChem CID86585711
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Nameethylbenzene;hexane;oxolane
SMILESC1CCOC1.CCCCCC.CCc1ccccc1
InChIInChI=1S/C8H10.C6H14.C4H8O/c1-2-8-6-4-3-5-7-8;1-3-5-6-4-2;1-2-4-5-3-1/h3-7H,2H2,1H3;3-6H2,1-2H3;1-4H2
InChIKeyOFVMTEBPNYRBEQ-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;hexane;oxolane?
The IUPAC name of ethylbenzene;hexane;oxolane (CID 86585711) is ethylbenzene;hexane;oxolane.
What is the SMILES notation for ethylbenzene;hexane;oxolane?
The canonical SMILES for ethylbenzene;hexane;oxolane is C1CCOC1.CCCCCC.CCc1ccccc1.
What is the InChIKey of ethylbenzene;hexane;oxolane?
The InChIKey is OFVMTEBPNYRBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H14.C4H8O/c1-2-8-6-4-3-5-7-8;1-3-5-6-4-2;1-2-4-5-3-1/h3-7H,2H2,1H3;3-6H2,1-2H3;1-4H2.
What are the key properties of ethylbenzene;hexane;oxolane?
ethylbenzene;hexane;oxolane has a molecular weight of 264.45 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;hexane;oxolane is sourced from PubChem (CID 86585711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).