2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol

C15H26O4S — CID 79912938

IUPAC2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26O4S/c1-20(17,18)13-5-4-9-15(13,16)12-6-10-19-14(11-12)7-2-3-8-14/h12-13,16H,2-11H2,1H3
InChIKeyFSJYCKRUBIMASV-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.05
Rot. Bonds2

About 2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol

2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol (PubChem CID 79912938) has the molecular formula C15H26O4S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol
PubChem CID79912938
Molecular FormulaC15H26O4S
Molecular Weight302.44 g/mol
Exact Mass302.16
IUPAC Name2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26O4S/c1-20(17,18)13-5-4-9-15(13,16)12-6-10-19-14(11-12)7-2-3-8-14/h12-13,16H,2-11H2,1H3
InChIKeyFSJYCKRUBIMASV-UHFFFAOYSA-N
XLogP2.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol
CID 107135594
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913866
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913769
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 81314576
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
CID 80610980
4-(6-oxaspiro[4.5]decan-9-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365735

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol (CID 79912938) is 2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol?
The InChIKey is FSJYCKRUBIMASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4S/c1-20(17,18)13-5-4-9-15(13,16)12-6-10-19-14(11-12)7-2-3-8-14/h12-13,16H,2-11H2,1H3.
What are the key properties of 2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol?
2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol has a molecular weight of 302.44 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol is sourced from PubChem (CID 79912938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).