(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C16H28O2S — CID 106830971

IUPAC(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCC1(C(O)C2CCOC3(CCSC3)C2)CCCCC1
InChIInChI=1S/C16H28O2S/c1-15(6-3-2-4-7-15)14(17)13-5-9-18-16(11-13)8-10-19-12-16/h13-14,17H,2-12H2,1H3
InChIKeyLWDCKUKYEZPBEM-UHFFFAOYSA-N
MW284.46 g/mol
LogP3.62
Rot. Bonds2

About (1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 106830971) has the molecular formula C16H28O2S and a molecular weight of 284.46 g/mol. Its IUPAC name is (1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID106830971
Molecular FormulaC16H28O2S
Molecular Weight284.46 g/mol
Exact Mass284.18
IUPAC Name(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCC1(C(O)C2CCOC3(CCSC3)C2)CCCCC1
InChIInChI=1S/C16H28O2S/c1-15(6-3-2-4-7-15)14(17)13-5-9-18-16(11-13)8-10-19-12-16/h13-14,17H,2-12H2,1H3
InChIKeyLWDCKUKYEZPBEM-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921312
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240
(2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 105116903
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79921016
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 106830971) is (1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is CC1(C(O)C2CCOC3(CCSC3)C2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is LWDCKUKYEZPBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S/c1-15(6-3-2-4-7-15)14(17)13-5-9-18-16(11-13)8-10-19-12-16/h13-14,17H,2-12H2,1H3.
What are the key properties of (1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 284.46 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 106830971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).