2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane

C9H15ClOS — CID 106493719

IUPAC2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane
SMILESC=C(CCl)CSCC1CCCO1
InChIInChI=1S/C9H15ClOS/c1-8(5-10)6-12-7-9-3-2-4-11-9/h9H,1-7H2
InChIKeyPYHBTTNBEPCIHL-UHFFFAOYSA-N
MW206.74 g/mol
LogP2.69
Rot. Bonds5

About 2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane

2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane (PubChem CID 106493719) has the molecular formula C9H15ClOS and a molecular weight of 206.74 g/mol. Its IUPAC name is 2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane
PubChem CID106493719
Molecular FormulaC9H15ClOS
Molecular Weight206.74 g/mol
Exact Mass206.05
IUPAC Name2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane
SMILESC=C(CCl)CSCC1CCCO1
InChIInChI=1S/C9H15ClOS/c1-8(5-10)6-12-7-9-3-2-4-11-9/h9H,1-7H2
InChIKeyPYHBTTNBEPCIHL-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.74
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(Chloromethyl)prop-2-enylsulfanyl]oxane
CID 103066304
2-(3-Chloropropylsulfanylmethyl)oxolane
CID 104084255
2-[[(E)-4-chlorobut-2-enyl]sulfanylmethyl]oxolane
CID 106493697
3-[2-(Chloromethyl)prop-2-enylsulfanyl]-2-methyloxolane
CID 107746820
3-[(E)-4-chlorobut-2-enyl]sulfanyl-2-methyloxolane
CID 107746821
2-(2-Chloroprop-2-enylsulfanylmethyl)oxolane
CID 131222979
2-[[(E)-3-chloroprop-2-enyl]sulfanylmethyl]oxolane
CID 131248460
3-[(E)-3-chloro-2-methylprop-2-enyl]sulfanyloxolane
CID 133625029

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane?
The IUPAC name of 2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane (CID 106493719) is 2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane.
What is the SMILES notation for 2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane?
The canonical SMILES for 2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane is C=C(CCl)CSCC1CCCO1.
What is the InChIKey of 2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane?
The InChIKey is PYHBTTNBEPCIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClOS/c1-8(5-10)6-12-7-9-3-2-4-11-9/h9H,1-7H2.
What are the key properties of 2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane?
2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane has a molecular weight of 206.74 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]oxolane is sourced from PubChem (CID 106493719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).