2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane

C9H14SSe — CID 134923248

IUPAC2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane
SMILESC#CC[Se]C(=C)SC(C)(C)C
InChIInChI=1S/C9H14SSe/c1-6-7-11-8(2)10-9(3,4)5/h1H,2,7H2,3-5H3
InChIKeyMZKXLOWRJAZDRV-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane

2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane (PubChem CID 134923248) has the molecular formula C9H14SSe and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane.

Molecular Properties

Compound Name2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane
PubChem CID134923248
Molecular FormulaC9H14SSe
Molecular Weight233.24 g/mol
Exact Mass234.00
IUPAC Name2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane
SMILESC#CC[Se]C(=C)SC(C)(C)C
InChIInChI=1S/C9H14SSe/c1-6-7-11-8(2)10-9(3,4)5/h1H,2,7H2,3-5H3
InChIKeyMZKXLOWRJAZDRV-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-3-tert-butylsulfanyl-2-methylhex-3-en-5-yn-2-ol
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tert-butyl(dimethyl)silane;prop-2-yn-1-ol
CID 174909337
2-tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene
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2-prop-2-ynoxyprop-1-ene
CID 15853200
tert-butyl N-methylcarbamodithioate
CID 11744961
2-tert-butylsulfanyl-2-oxoacetate
CID 140759614
2-methylhex-5-yn-2-ol
CID 10996988
S-tert-butyl propanethioate
CID 10374582
2-cyclopropylpent-4-yn-2-ol
CID 10654223
2-methylhept-1-en-6-yn-3-one
CID 24975370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane?
The IUPAC name of 2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane (CID 134923248) is 2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane.
What is the SMILES notation for 2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane?
The canonical SMILES for 2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane is C#CC[Se]C(=C)SC(C)(C)C.
What is the InChIKey of 2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane?
The InChIKey is MZKXLOWRJAZDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14SSe/c1-6-7-11-8(2)10-9(3,4)5/h1H,2,7H2,3-5H3.
What are the key properties of 2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane?
2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane has a molecular weight of 233.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-prop-2-ynylselanylethenylsulfanyl)propane is sourced from PubChem (CID 134923248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).