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

C17H30O2S — CID 115823537

IUPAC(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCCC1(C(O)C2CCOC3(CCSCC3)C2)CCCC1
InChIInChI=1S/C17H30O2S/c1-2-16(6-3-4-7-16)15(18)14-5-10-19-17(13-14)8-11-20-12-9-17/h14-15,18H,2-13H2,1H3
InChIKeyYXHZIRKENIOKOW-UHFFFAOYSA-N
MW298.49 g/mol
LogP4.01
Rot. Bonds3

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

(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (PubChem CID 115823537) has the molecular formula C17H30O2S and a molecular weight of 298.49 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
PubChem CID115823537
Molecular FormulaC17H30O2S
Molecular Weight298.49 g/mol
Exact Mass298.20
IUPAC Name(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCCC1(C(O)C2CCOC3(CCSCC3)C2)CCCC1
InChIInChI=1S/C17H30O2S/c1-2-16(6-3-4-7-16)15(18)14-5-10-19-17(13-14)8-11-20-12-9-17/h14-15,18H,2-13H2,1H3
InChIKeyYXHZIRKENIOKOW-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
(2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 105116903
2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79921924
2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79924056
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 103027641
3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
CID 113291179
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921312
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523
(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 79913976
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 113404900

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (CID 115823537) is (1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is CCC1(C(O)C2CCOC3(CCSCC3)C2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is YXHZIRKENIOKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2S/c1-2-16(6-3-4-7-16)15(18)14-5-10-19-17(13-14)8-11-20-12-9-17/h14-15,18H,2-13H2,1H3.
What are the key properties of (1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 298.49 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 115823537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).