2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate

C11H20O5S — CID 145095983

IUPAC2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate
SMILESCS(=O)(=O)OCC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C11H20O5S/c1-17(12,13)15-8-5-10-9-14-11(16-10)6-3-2-4-7-11/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyIYKIGVCUPZQGEI-SNVBAGLBSA-N
MW264.34 g/mol
LogP1.43
Rot. Bonds4

About 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate

2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate (PubChem CID 145095983) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate
PubChem CID145095983
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Name2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate
SMILESCS(=O)(=O)OCC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C11H20O5S/c1-17(12,13)15-8-5-10-9-14-11(16-10)6-3-2-4-7-11/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyIYKIGVCUPZQGEI-SNVBAGLBSA-N
XLogP1.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

1,4-dioxaspiro[4.5]decan-3-ylmethyl methanesulfonate
CID 22601517
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate
CID 86615867
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]methanesulfonamide
CID 8698584
3-propyl-1,4-dioxaspiro[4.4]nonane
CID 14592507
2-(oxiran-2-yl)ethyl methanesulfonate
CID 12689934
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
(3S)-3-(3-bromopropyl)-1,4-dioxaspiro[4.5]decane
CID 11817886
2-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)guanidine;sulfuric acid
CID 159945333
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl trifluoromethanesulfonate
CID 59158516
methyl 9-(1,4-dioxaspiro[4.4]nonan-3-yl)nonanoate
CID 15103364
4-(1,4-dioxaspiro[4.4]nonan-3-yl)butan-1-amine
CID 58527524

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate?
The IUPAC name of 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate (CID 145095983) is 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate.
What is the SMILES notation for 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate?
The canonical SMILES for 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate is CS(=O)(=O)OCC[C@@H]1COC2(CCCCC2)O1.
What is the InChIKey of 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate?
The InChIKey is IYKIGVCUPZQGEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O5S/c1-17(12,13)15-8-5-10-9-14-11(16-10)6-3-2-4-7-11/h10H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate?
2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate has a molecular weight of 264.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate is sourced from PubChem (CID 145095983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).