2-(2-methylprop-2-enylsulfanyl)oxane

C9H16OS — CID 164745338

IUPAC2-(2-methylprop-2-enylsulfanyl)oxane
SMILESC=C(C)CSC1CCCCO1
InChIInChI=1S/C9H16OS/c1-8(2)7-11-9-5-3-4-6-10-9/h9H,1,3-7H2,2H3
InChIKeyPDTABMVUGNHAKV-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds3

About 2-(2-methylprop-2-enylsulfanyl)oxane

2-(2-methylprop-2-enylsulfanyl)oxane (PubChem CID 164745338) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylsulfanyl)oxane.

Molecular Properties

Compound Name2-(2-methylprop-2-enylsulfanyl)oxane
PubChem CID164745338
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(2-methylprop-2-enylsulfanyl)oxane
SMILESC=C(C)CSC1CCCCO1
InChIInChI=1S/C9H16OS/c1-8(2)7-11-9-5-3-4-6-10-9/h9H,1,3-7H2,2H3
InChIKeyPDTABMVUGNHAKV-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.82
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-Methylprop-2-enylsulfonyl)oxane
CID 162418091
(S)-2-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran
CID 162786691
2H-Pyran, 2-(tert-butylthio)tetrahydro-
CID 534605
Methylidene-(oxan-2-yl)-prop-2-enyl-lambda4-sulfane
CID 57081654
4-Tert-butylsulfanyloxane
CID 130724982
Ethane;methoxyethane;4-methylidenethiane
CID 143832071
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603065
2-[2-(2-Methylprop-1-enoxy)ethyl]-1,4-dithiane
CID 176603271
3-(2-Methylprop-1-enoxymethyl)thiane
CID 176603834
2-[3-(2-Methylprop-1-enoxy)propyl]-1,4-dithiane
CID 176604224
2-(2-Methylprop-1-enoxymethyl)thiane
CID 176605189
Butane, 1-ethoxy-4-[(2-methyl-1-propenyl)thio]-
CID 12297808

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylsulfanyl)oxane?
The IUPAC name of 2-(2-methylprop-2-enylsulfanyl)oxane (CID 164745338) is 2-(2-methylprop-2-enylsulfanyl)oxane.
What is the SMILES notation for 2-(2-methylprop-2-enylsulfanyl)oxane?
The canonical SMILES for 2-(2-methylprop-2-enylsulfanyl)oxane is C=C(C)CSC1CCCCO1.
What is the InChIKey of 2-(2-methylprop-2-enylsulfanyl)oxane?
The InChIKey is PDTABMVUGNHAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-8(2)7-11-9-5-3-4-6-10-9/h9H,1,3-7H2,2H3.
What are the key properties of 2-(2-methylprop-2-enylsulfanyl)oxane?
2-(2-methylprop-2-enylsulfanyl)oxane has a molecular weight of 172.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylsulfanyl)oxane is sourced from PubChem (CID 164745338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).