ethane;4-propan-2-yloxane;4-propan-2-ylthiane

C18H38OS — CID 170972006

IUPACethane;4-propan-2-yloxane;4-propan-2-ylthiane
SMILESCC.CC(C)C1CCOCC1.CC(C)C1CCSCC1
InChIInChI=1S/C8H16O.C8H16S.C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-2/h2*7-8H,3-6H2,1-2H3;1-2H3
InChIKeyNONWLXDFNDCTQV-UHFFFAOYSA-N
MW302.57 g/mol
LogP5.88
Rot. Bonds2

About ethane;4-propan-2-yloxane;4-propan-2-ylthiane

ethane;4-propan-2-yloxane;4-propan-2-ylthiane (PubChem CID 170972006) has the molecular formula C18H38OS and a molecular weight of 302.57 g/mol. Its IUPAC name is ethane;4-propan-2-yloxane;4-propan-2-ylthiane.

Molecular Properties

Compound Nameethane;4-propan-2-yloxane;4-propan-2-ylthiane
PubChem CID170972006
Molecular FormulaC18H38OS
Molecular Weight302.57 g/mol
Exact Mass302.26
IUPAC Nameethane;4-propan-2-yloxane;4-propan-2-ylthiane
SMILESCC.CC(C)C1CCOCC1.CC(C)C1CCSCC1
InChIInChI=1S/C8H16O.C8H16S.C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-2/h2*7-8H,3-6H2,1-2H3;1-2H3
InChIKeyNONWLXDFNDCTQV-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.57
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yloxane;4-propan-2-ylthiane?
The IUPAC name of ethane;4-propan-2-yloxane;4-propan-2-ylthiane (CID 170972006) is ethane;4-propan-2-yloxane;4-propan-2-ylthiane.
What is the SMILES notation for ethane;4-propan-2-yloxane;4-propan-2-ylthiane?
The canonical SMILES for ethane;4-propan-2-yloxane;4-propan-2-ylthiane is CC.CC(C)C1CCOCC1.CC(C)C1CCSCC1.
What is the InChIKey of ethane;4-propan-2-yloxane;4-propan-2-ylthiane?
The InChIKey is NONWLXDFNDCTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C8H16S.C2H6/c2*1-7(2)8-3-5-9-6-4-8;1-2/h2*7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-yloxane;4-propan-2-ylthiane?
ethane;4-propan-2-yloxane;4-propan-2-ylthiane has a molecular weight of 302.57 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yloxane;4-propan-2-ylthiane is sourced from PubChem (CID 170972006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).