(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol

C17H30O2S — CID 79913976

IUPAC(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCC1CCCC(C(O)C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C17H30O2S/c1-13-3-2-4-14(11-13)16(18)15-5-8-19-17(12-15)6-9-20-10-7-17/h13-16,18H,2-12H2,1H3
InChIKeyRHPVEGPLWRFCPC-UHFFFAOYSA-N
MW298.49 g/mol
LogP3.87
Rot. Bonds2

About (3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol

(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (PubChem CID 79913976) has the molecular formula C17H30O2S and a molecular weight of 298.49 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
PubChem CID79913976
Molecular FormulaC17H30O2S
Molecular Weight298.49 g/mol
Exact Mass298.20
IUPAC Name(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCC1CCCC(C(O)C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C17H30O2S/c1-13-3-2-4-14(11-13)16(18)15-5-8-19-17(12-15)6-9-20-10-7-17/h13-16,18H,2-12H2,1H3
InChIKeyRHPVEGPLWRFCPC-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
CID 79913506
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-3-yl)methanol
CID 80559224
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
(5,6-dimethyl-1,4-dithian-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 103345120
(1,1-dioxothiolan-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115336503
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914646
1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-2-yl)methanol
CID 106634585
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
CID 79913062
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (CID 79913976) is (3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is CC1CCCC(C(O)C2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of (3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is RHPVEGPLWRFCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2S/c1-13-3-2-4-14(11-13)16(18)15-5-8-19-17(12-15)6-9-20-10-7-17/h13-16,18H,2-12H2,1H3.
What are the key properties of (3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 298.49 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 79913976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).