4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane

C9H15ClOS — CID 103066304

IUPAC4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane
SMILESC=C(CCl)CSC1CCOCC1
InChIInChI=1S/C9H15ClOS/c1-8(6-10)7-12-9-2-4-11-5-3-9/h9H,1-7H2
InChIKeyLUZNUXDMOCDYJX-UHFFFAOYSA-N
MW206.74 g/mol
LogP2.69
Rot. Bonds4

About 4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane

4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane (PubChem CID 103066304) has the molecular formula C9H15ClOS and a molecular weight of 206.74 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane
PubChem CID103066304
Molecular FormulaC9H15ClOS
Molecular Weight206.74 g/mol
Exact Mass206.05
IUPAC Name4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane
SMILESC=C(CCl)CSC1CCOCC1
InChIInChI=1S/C9H15ClOS/c1-8(6-10)7-12-9-2-4-11-5-3-9/h9H,1-7H2
InChIKeyLUZNUXDMOCDYJX-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(3-Chloropropylsulfanyl)oxane
CID 62996051
4-(4-Chlorobut-2-enylsulfanyl)oxane
CID 77051228
2-[2-(Chloromethyl)prop-2-enylsulfanylmethyl]oxolane
CID 106493719
3-[2-(Chloromethyl)prop-2-enylsulfanyl]-2-methyloxolane
CID 107746820
4-(2-Chloroprop-2-enylsulfanyl)oxane
CID 130735830
4-[(E)-3-chloroprop-2-enyl]sulfanyloxane
CID 131246691
4-[(E)-2,3-dichloroprop-2-enyl]sulfanyloxane
CID 133615613
3-[(E)-2,3-dichloroprop-2-enyl]sulfanyloxane
CID 133667076
3-[(E)-3-chloro-2-methylprop-2-enyl]sulfanyloxane
CID 133679317

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane (CID 103066304) is 4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane is C=C(CCl)CSC1CCOCC1.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane?
The InChIKey is LUZNUXDMOCDYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClOS/c1-8(6-10)7-12-9-2-4-11-5-3-9/h9H,1-7H2.
What are the key properties of 4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane?
4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane has a molecular weight of 206.74 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)prop-2-enylsulfanyl]oxane is sourced from PubChem (CID 103066304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).