(3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene

C10H18Br2S — CID 146556904

IUPAC(3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene
SMILESC=C(C(Br)Br)[C@@H](CCC)CSCC
InChIInChI=1S/C10H18Br2S/c1-4-6-9(7-13-5-2)8(3)10(11)12/h9-10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyZSJZAEDXKYFLPL-VIFPVBQESA-N
MW330.13 g/mol
LogP4.83
Rot. Bonds7

About (3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene

(3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene (PubChem CID 146556904) has the molecular formula C10H18Br2S and a molecular weight of 330.13 g/mol. Its IUPAC name is (3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene.

Molecular Properties

Compound Name(3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene
PubChem CID146556904
Molecular FormulaC10H18Br2S
Molecular Weight330.13 g/mol
Exact Mass327.95
IUPAC Name(3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene
SMILESC=C(C(Br)Br)[C@@H](CCC)CSCC
InChIInChI=1S/C10H18Br2S/c1-4-6-9(7-13-5-2)8(3)10(11)12/h9-10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyZSJZAEDXKYFLPL-VIFPVBQESA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene?
The IUPAC name of (3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene (CID 146556904) is (3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene.
What is the SMILES notation for (3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene?
The canonical SMILES for (3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene is C=C(C(Br)Br)[C@@H](CCC)CSCC.
What is the InChIKey of (3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene?
The InChIKey is ZSJZAEDXKYFLPL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18Br2S/c1-4-6-9(7-13-5-2)8(3)10(11)12/h9-10H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene?
(3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene has a molecular weight of 330.13 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(dibromomethyl)-3-(ethylsulfanylmethyl)hex-1-ene is sourced from PubChem (CID 146556904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).