2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol

C18H24O2S — CID 79909534

IUPAC2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C18H24O2S/c19-17-15-4-2-1-3-13(15)11-16(17)14-5-8-20-18(12-14)6-9-21-10-7-18/h1-4,14,16-17,19H,5-12H2
InChIKeyKTPVOOQBPIFTAT-UHFFFAOYSA-N
MW304.45 g/mol
LogP3.58
Rot. Bonds1

About 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 79909534) has the molecular formula C18H24O2S and a molecular weight of 304.45 g/mol. Its IUPAC name is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol
PubChem CID79909534
Molecular FormulaC18H24O2S
Molecular Weight304.45 g/mol
Exact Mass304.15
IUPAC Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C18H24O2S/c19-17-15-4-2-1-3-13(15)11-16(17)14-5-8-20-18(12-14)6-9-21-10-7-18/h1-4,14,16-17,19H,5-12H2
InChIKeyKTPVOOQBPIFTAT-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79911492
4-(2-bromocyclopentyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79920153
4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79919680
1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol
CID 130142398
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-phenylethane-1,2-diol
CID 103459513
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-isoindole
CID 79906704
(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79920949
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86770976
1-oxa-9-thiaspiro[5.5]undecan-4-ylboronic acid
CID 79919830
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79923611
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol
CID 104846100
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 104800791

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol (CID 79909534) is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol is OC1c2ccccc2CC1C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is KTPVOOQBPIFTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2S/c19-17-15-4-2-1-3-13(15)11-16(17)14-5-8-20-18(12-14)6-9-21-10-7-18/h1-4,14,16-17,19H,5-12H2.
What are the key properties of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol?
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 304.45 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79909534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).