cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane

C14H26OS — CID 54446759

IUPACcyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane
SMILESC1=CCC=C1.CCSC[C@@](C)(CC)COC
InChIInChI=1S/C9H20OS.C5H6/c1-5-9(3,7-10-4)8-11-6-2;1-2-4-5-3-1/h5-8H2,1-4H3;1-4H,5H2/t9-;/m0./s1
InChIKeyWSBDFWDXKJSVBM-FVGYRXGTSA-N
MW242.43 g/mol
LogP4.30
Rot. Bonds6

About cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane

cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane (PubChem CID 54446759) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane
PubChem CID54446759
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Namecyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane
SMILESC1=CCC=C1.CCSC[C@@](C)(CC)COC
InChIInChI=1S/C9H20OS.C5H6/c1-5-9(3,7-10-4)8-11-6-2;1-2-4-5-3-1/h5-8H2,1-4H3;1-4H,5H2/t9-;/m0./s1
InChIKeyWSBDFWDXKJSVBM-FVGYRXGTSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-ethoxyethyl)-5-methyl-2-propan-2-yl-2H-thiophene
CID 123140848
ethane;2-methoxyethyl-methyl-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]sulfanium
CID 142377173
ethane;2-methoxyethyl-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]sulfanium
CID 142377218
2-methoxyethyl-methyl-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]sulfanium
CID 142377174
(2E,4E)-2-(2-methoxyethylsulfanyl)-5,6,6-trimethylhepta-2,4-diene
CID 142377219
(3Z)-2-[(3-butoxy-2-methylpropyl)sulfanylmethyl]hexa-1,3,5-triene
CID 145671028

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane?
The IUPAC name of cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane (CID 54446759) is cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane.
What is the SMILES notation for cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane?
The canonical SMILES for cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane is C1=CCC=C1.CCSC[C@@](C)(CC)COC.
What is the InChIKey of cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane?
The InChIKey is WSBDFWDXKJSVBM-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H20OS.C5H6/c1-5-9(3,7-10-4)8-11-6-2;1-2-4-5-3-1/h5-8H2,1-4H3;1-4H,5H2/t9-;/m0./s1.
What are the key properties of cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane?
cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane has a molecular weight of 242.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(2S)-1-ethylsulfanyl-2-(methoxymethyl)-2-methylbutane is sourced from PubChem (CID 54446759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).