3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol

C15H26O2S — CID 79898832

IUPAC3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESCC1CCCC(O)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C15H26O2S/c1-12-3-2-5-15(16,9-12)13-4-7-17-14(10-13)6-8-18-11-14/h12-13,16H,2-11H2,1H3
InChIKeyDQRXVBURDYZTFW-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.23
Rot. Bonds1

About 3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol

3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol (PubChem CID 79898832) has the molecular formula C15H26O2S and a molecular weight of 270.44 g/mol. Its IUPAC name is 3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
PubChem CID79898832
Molecular FormulaC15H26O2S
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESCC1CCCC(O)(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C15H26O2S/c1-12-3-2-5-15(16,9-12)13-4-7-17-14(10-13)6-8-18-11-14/h12-13,16H,2-11H2,1H3
InChIKeyDQRXVBURDYZTFW-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol (CID 79898832) is 3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol is CC1CCCC(O)(C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The InChIKey is DQRXVBURDYZTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S/c1-12-3-2-5-15(16,9-12)13-4-7-17-14(10-13)6-8-18-11-14/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol has a molecular weight of 270.44 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol is sourced from PubChem (CID 79898832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).