2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane

C10H18OS2 — CID 176603632

IUPAC2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane
SMILESC/C=C/OCCC1(C)CSCCS1
InChIInChI=1S/C10H18OS2/c1-3-5-11-6-4-10(2)9-12-7-8-13-10/h3,5H,4,6-9H2,1-2H3/b5-3+
InChIKeyBPZTZYYIULOFBM-HWKANZROSA-N
MW218.39 g/mol
LogP3.17
Rot. Bonds4

About 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane

2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane (PubChem CID 176603632) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane.

Molecular Properties

Compound Name2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane
PubChem CID176603632
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane
SMILESC/C=C/OCCC1(C)CSCCS1
InChIInChI=1S/C10H18OS2/c1-3-5-11-6-4-10(2)9-12-7-8-13-10/h3,5H,4,6-9H2,1-2H3/b5-3+
InChIKeyBPZTZYYIULOFBM-HWKANZROSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butylsulfanyl-3,4-dihydro-2H-pyran
CID 14112549
2-(3-Ethoxyprop-2-enylsulfanyl)-2-methylpropane
CID 139682297
O-prop-1-enyl 3-methylbutylsulfanylmethanethioate
CID 175297890
2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane
CID 176602937
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane 1,4-dioxide
CID 176602977
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane
CID 176602979
3-[[(E)-prop-1-enoxy]methyl]thiane
CID 176603022
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane 1,4-dioxide
CID 176603044
2-[2-(2-Methylprop-1-enoxy)ethyl]-1,4-dithiane
CID 176603271
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603286
2-(2-Methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603370
2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane 1,4-dioxide
CID 176603495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane?
The IUPAC name of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane (CID 176603632) is 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane.
What is the SMILES notation for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane?
The canonical SMILES for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane is C/C=C/OCCC1(C)CSCCS1.
What is the InChIKey of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane?
The InChIKey is BPZTZYYIULOFBM-HWKANZROSA-N. The full InChI is InChI=1S/C10H18OS2/c1-3-5-11-6-4-10(2)9-12-7-8-13-10/h3,5H,4,6-9H2,1-2H3/b5-3+.
What are the key properties of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane?
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane has a molecular weight of 218.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane is sourced from PubChem (CID 176603632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).