2-(2-methylprop-2-enylsulfanylmethyl)oxolane

C9H16OS — CID 131208690

IUPAC2-(2-methylprop-2-enylsulfanylmethyl)oxolane
SMILESC=C(C)CSCC1CCCO1
InChIInChI=1S/C9H16OS/c1-8(2)6-11-7-9-4-3-5-10-9/h9H,1,3-7H2,2H3
InChIKeyQOHJPTLZCNPOMH-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.47
Rot. Bonds4

About 2-(2-methylprop-2-enylsulfanylmethyl)oxolane

2-(2-methylprop-2-enylsulfanylmethyl)oxolane (PubChem CID 131208690) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfanylmethyl)oxolane
PubChem CID131208690
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(2-methylprop-2-enylsulfanylmethyl)oxolane
SMILESC=C(C)CSCC1CCCO1
InChIInChI=1S/C9H16OS/c1-8(2)6-11-7-9-4-3-5-10-9/h9H,1,3-7H2,2H3
InChIKeyQOHJPTLZCNPOMH-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.47
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

2-(2,2-Dimethylpropylsulfanylmethyl)oxolane
CID 21060295
2-Methyl-3-propan-2-ylsulfanyloxolane
CID 126989742
2-(Propan-2-ylsulfanylmethyl)oxolane
CID 127000130
2-(Propan-2-yloxymethyl)thiolane
CID 156869065
2-(2-Methylprop-2-enylsulfanyl)oxane
CID 164745338
Oxolan-2-ylmethyl(dipropyl)sulfanium
CID 173412395
Butyl-(oxolan-2-ylmethyl)-propylsulfanium
CID 173412597
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603467
2-(2-Methylprop-1-enoxymethyl)thiolane
CID 176605187
Butyl-methyl-(oxolan-2-ylmethyl)sulfanium
CID 3062271
2-(Prop-2-enylsulfanylmethyl)oxolane
CID 3652517
Pentane, 1-ethoxy-5-[(2-methyl-1-propenyl)thio]-
CID 12297817

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfanylmethyl)oxolane?
The IUPAC name of 2-(2-methylprop-2-enylsulfanylmethyl)oxolane (CID 131208690) is 2-(2-methylprop-2-enylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(2-methylprop-2-enylsulfanylmethyl)oxolane is C=C(C)CSCC1CCCO1.
What is the InChIKey of 2-(2-methylprop-2-enylsulfanylmethyl)oxolane?
The InChIKey is QOHJPTLZCNPOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-8(2)6-11-7-9-4-3-5-10-9/h9H,1,3-7H2,2H3.
What are the key properties of 2-(2-methylprop-2-enylsulfanylmethyl)oxolane?
2-(2-methylprop-2-enylsulfanylmethyl)oxolane has a molecular weight of 172.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfanylmethyl)oxolane is sourced from PubChem (CID 131208690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).