[4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate

C15H30O3S — CID 139355349

IUPAC[4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate
SMILESC=COC(=O)OC(C)(C)CC(C)(C)S(C)(C)C(C)C
InChIInChI=1S/C15H30O3S/c1-10-17-13(16)18-14(4,5)11-15(6,7)19(8,9)12(2)3/h10,12H,1,11H2,2-9H3
InChIKeyFSNTWQCTPMOMAV-UHFFFAOYSA-N
MW290.47 g/mol
LogP4.70
Rot. Bonds6

About [4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate

[4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate (PubChem CID 139355349) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is [4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate.

Molecular Properties

Compound Name[4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate
PubChem CID139355349
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name[4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate
SMILESC=COC(=O)OC(C)(C)CC(C)(C)S(C)(C)C(C)C
InChIInChI=1S/C15H30O3S/c1-10-17-13(16)18-14(4,5)11-15(6,7)19(8,9)12(2)3/h10,12H,1,11H2,2-9H3
InChIKeyFSNTWQCTPMOMAV-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethenyl 2-methylsilylpropan-2-yl carbonate
CID 173311349
ethenyl (3,4,4-trimethyl-2-silyloxypentan-2-yl) carbonate
CID 173010653
ethenyl 1-fluoroethyl carbonate
CID 90239988
[2,4-dimethyl-4-(trimethyl-λ4-sulfanyl)pentan-2-yl] 2-methylprop-2-enoate
CID 167089242
bis(ethenyl) carbonate;ethene
CID 87073622
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
ethenyl 2,2,4,4-tetramethylpentanoate
CID 19774400
ethenyl 1-methylsilylethyl carbonate
CID 174052005
3-ethenoxy-2-methyl-3-oxopropanoic acid
CID 139933111
2-[2-(2-ethenoxycarbonyloxypropanoyloxy)ethoxy]ethyl 2-ethenoxycarbonyloxypropanoate
CID 59601723
(2-dimethylsilyloxy-3,3-dimethylbutyl) ethenyl carbonate
CID 173002161
ethene;ethenyl 2,2-dimethylpropanoate
CID 159810443

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate?
The IUPAC name of [4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate (CID 139355349) is [4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate.
What is the SMILES notation for [4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate?
The canonical SMILES for [4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate is C=COC(=O)OC(C)(C)CC(C)(C)S(C)(C)C(C)C.
What is the InChIKey of [4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate?
The InChIKey is FSNTWQCTPMOMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c1-10-17-13(16)18-14(4,5)11-15(6,7)19(8,9)12(2)3/h10,12H,1,11H2,2-9H3.
What are the key properties of [4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate?
[4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate has a molecular weight of 290.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(propan-2-yl)-λ4-sulfanyl]-2,4-dimethylpentan-2-yl] ethenyl carbonate is sourced from PubChem (CID 139355349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).