3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol

C16H28O2S — CID 79899140

IUPAC3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
SMILESCC1CCCC(O)(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H28O2S/c1-13-3-2-5-16(17,11-13)14-4-8-18-15(12-14)6-9-19-10-7-15/h13-14,17H,2-12H2,1H3
InChIKeyDWCRQZHAZBDUNV-UHFFFAOYSA-N
MW284.46 g/mol
LogP3.62
Rot. Bonds1

About 3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol

3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol (PubChem CID 79899140) has the molecular formula C16H28O2S and a molecular weight of 284.46 g/mol. Its IUPAC name is 3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
PubChem CID79899140
Molecular FormulaC16H28O2S
Molecular Weight284.46 g/mol
Exact Mass284.18
IUPAC Name3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
SMILESCC1CCCC(O)(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H28O2S/c1-13-3-2-5-16(17,11-13)14-4-8-18-15(12-14)6-9-19-10-7-15/h13-14,17H,2-12H2,1H3
InChIKeyDWCRQZHAZBDUNV-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol (CID 79899140) is 3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol is CC1CCCC(O)(C2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of 3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The InChIKey is DWCRQZHAZBDUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S/c1-13-3-2-5-16(17,11-13)14-4-8-18-15(12-14)6-9-19-10-7-15/h13-14,17H,2-12H2,1H3.
What are the key properties of 3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol has a molecular weight of 284.46 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 79899140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).