2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane

C8H13ClOS — CID 131248460

IUPAC2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane
SMILESCl/C=C/CSCC1CCCO1
InChIInChI=1S/C8H13ClOS/c9-4-2-6-11-7-8-3-1-5-10-8/h2,4,8H,1,3,5-7H2/b4-2+
InChIKeyUJCFVUSNTSEXGM-DUXPYHPUSA-N
MW192.71 g/mol
LogP2.65
Rot. Bonds4

About 2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane

2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane (PubChem CID 131248460) has the molecular formula C8H13ClOS and a molecular weight of 192.71 g/mol. Its IUPAC name is 2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane
PubChem CID131248460
Molecular FormulaC8H13ClOS
Molecular Weight192.71 g/mol
Exact Mass192.04
IUPAC Name2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane
SMILESCl/C=C/CSCC1CCCO1
InChIInChI=1S/C8H13ClOS/c9-4-2-6-11-7-8-3-1-5-10-8/h2,4,8H,1,3,5-7H2/b4-2+
InChIKeyUJCFVUSNTSEXGM-DUXPYHPUSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.71
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-enylsulfanylmethyl)oxolane
CID 3652517
2-[[(E)-4-chlorobut-2-enyl]sulfanylmethyl]oxolane
CID 106493697
2-[2-(Chloromethyl)prop-2-enylsulfanylmethyl]oxolane
CID 106493719
3-[2-(Chloromethyl)prop-2-enylsulfanyl]-2-methyloxolane
CID 107746820
3-[(E)-4-chlorobut-2-enyl]sulfanyl-2-methyloxolane
CID 107746821
2-Methyl-3-prop-2-enylsulfanyloxolane
CID 126992315
2-(2-Chloroprop-2-enylsulfanylmethyl)oxolane
CID 131222979
4-[(E)-3-chloroprop-2-enyl]sulfanyloxane
CID 131246691

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane?
The IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane (CID 131248460) is 2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane.
What is the SMILES notation for 2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane?
The canonical SMILES for 2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane is Cl/C=C/CSCC1CCCO1.
What is the InChIKey of 2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane?
The InChIKey is UJCFVUSNTSEXGM-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H13ClOS/c9-4-2-6-11-7-8-3-1-5-10-8/h2,4,8H,1,3,5-7H2/b4-2+.
What are the key properties of 2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane?
2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane has a molecular weight of 192.71 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane is sourced from PubChem (CID 131248460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).