1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol

C9H18O5S — CID 103547389

IUPAC1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol
SMILESCS(=O)(=O)CCCC(O)CC1OCCO1
InChIInChI=1S/C9H18O5S/c1-15(11,12)6-2-3-8(10)7-9-13-4-5-14-9/h8-10H,2-7H2,1H3
InChIKeyWFZVTDOAEKJKLV-UHFFFAOYSA-N
MW238.30 g/mol
LogP-0.06
Rot. Bonds6

About 1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol

1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol (PubChem CID 103547389) has the molecular formula C9H18O5S and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol
PubChem CID103547389
Molecular FormulaC9H18O5S
Molecular Weight238.30 g/mol
Exact Mass238.09
IUPAC Name1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol
SMILESCS(=O)(=O)CCCC(O)CC1OCCO1
InChIInChI=1S/C9H18O5S/c1-15(11,12)6-2-3-8(10)7-9-13-4-5-14-9/h8-10H,2-7H2,1H3
InChIKeyWFZVTDOAEKJKLV-UHFFFAOYSA-N
XLogP-0.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-propan-2-yloxyoxolan-2-yl]ethanesulfonate
CID 57893153
(2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol
CID 58214619
methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate
CID 89097680
2-[2-(3-Methylsulfonylpropyl)-1,3-dioxolan-2-yl]ethyl methanesulfonate
CID 122492131
methyl 2-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethanesulfonate
CID 146385308
1-Ethoxy-1-methoxyethanol;hexane-1,3-diol;thiolane 1,1-dioxide
CID 164035733
S-[[(2S,3S,4R,5S)-3-hydroxy-5-methoxy-4-methylsulfonyloxyoxolan-2-yl]methyl] ethanethioate
CID 21589176
7-Methylsulfonyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 62784765
1,1-Dimethoxy-5-methylsulfonylpentan-2-ol
CID 65984841
1,1-Diethoxy-4-methylsulfonylbutan-2-ol
CID 79495945
1,1-Diethoxy-5-methylsulfonylpentan-2-ol
CID 79496142
1,1-Diethoxy-5-ethylsulfonylpentan-2-ol
CID 79496155

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol (CID 103547389) is 1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol is CS(=O)(=O)CCCC(O)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol?
The InChIKey is WFZVTDOAEKJKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5S/c1-15(11,12)6-2-3-8(10)7-9-13-4-5-14-9/h8-10H,2-7H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol?
1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol has a molecular weight of 238.30 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-5-methylsulfonylpentan-2-ol is sourced from PubChem (CID 103547389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).