3-(3-methylbut-2-enylsulfanyl)oxane

C10H18OS — CID 130658356

IUPAC3-(3-methylbut-2-enylsulfanyl)oxane
SMILESCC(C)=CCSC1CCCOC1
InChIInChI=1S/C10H18OS/c1-9(2)5-7-12-10-4-3-6-11-8-10/h5,10H,3-4,6-8H2,1-2H3
InChIKeyNGEVYCDNUWZIMT-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.86
Rot. Bonds3

About 3-(3-methylbut-2-enylsulfanyl)oxane

3-(3-methylbut-2-enylsulfanyl)oxane (PubChem CID 130658356) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-(3-methylbut-2-enylsulfanyl)oxane.

Molecular Properties

Compound Name3-(3-methylbut-2-enylsulfanyl)oxane
PubChem CID130658356
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-(3-methylbut-2-enylsulfanyl)oxane
SMILESCC(C)=CCSC1CCCOC1
InChIInChI=1S/C10H18OS/c1-9(2)5-7-12-10-4-3-6-11-8-10/h5,10H,3-4,6-8H2,1-2H3
InChIKeyNGEVYCDNUWZIMT-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methylidene-(oxan-2-yl)-prop-2-enyl-lambda4-sulfane
CID 57081654
2-(2-Methylprop-2-enylsulfanyl)oxane
CID 164745338
2-[3-(2-Methylprop-1-enoxy)propyl]-1,4-dithiane
CID 176604224
Pentane, 1-ethoxy-5-[(2-methyl-1-propenyl)thio]-
CID 12297817
4-(Oxan-4-ylsulfanyl)but-2-ene-1-thiol
CID 80032299
2-(Oxan-4-ylsulfanylmethyl)prop-2-ene-1-thiol
CID 103074203
4-Prop-2-enylsulfanyloxane
CID 126992669
3-(3-Methylbut-2-enylsulfanyl)oxolane
CID 126994807
4-But-3-en-2-ylsulfanyloxane
CID 130667626
4-(2-Methylprop-2-enylsulfanyl)oxane
CID 130693718
3-(2-Methylprop-2-enylsulfanyl)oxane
CID 130891658

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enylsulfanyl)oxane?
The IUPAC name of 3-(3-methylbut-2-enylsulfanyl)oxane (CID 130658356) is 3-(3-methylbut-2-enylsulfanyl)oxane.
What is the SMILES notation for 3-(3-methylbut-2-enylsulfanyl)oxane?
The canonical SMILES for 3-(3-methylbut-2-enylsulfanyl)oxane is CC(C)=CCSC1CCCOC1.
What is the InChIKey of 3-(3-methylbut-2-enylsulfanyl)oxane?
The InChIKey is NGEVYCDNUWZIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(2)5-7-12-10-4-3-6-11-8-10/h5,10H,3-4,6-8H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enylsulfanyl)oxane?
3-(3-methylbut-2-enylsulfanyl)oxane has a molecular weight of 186.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enylsulfanyl)oxane is sourced from PubChem (CID 130658356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).