1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol

C17H22OS2 — CID 10518764

IUPAC1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol
SMILESOC1(C2SCCCS2)c2ccccc2CC12CCCC2
InChIInChI=1S/C17H22OS2/c18-17(15-19-10-5-11-20-15)14-7-2-1-6-13(14)12-16(17)8-3-4-9-16/h1-2,6-7,15,18H,3-5,8-12H2
InChIKeyNEFPWLCCTWRCFB-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.19
Rot. Bonds1

About 1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol

1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol (PubChem CID 10518764) has the molecular formula C17H22OS2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol.

Molecular Properties

Compound Name1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol
PubChem CID10518764
Molecular FormulaC17H22OS2
Molecular Weight306.50 g/mol
Exact Mass306.11
IUPAC Name1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol
SMILESOC1(C2SCCCS2)c2ccccc2CC12CCCC2
InChIInChI=1S/C17H22OS2/c18-17(15-19-10-5-11-20-15)14-7-2-1-6-13(14)12-16(17)8-3-4-9-16/h1-2,6-7,15,18H,3-5,8-12H2
InChIKeyNEFPWLCCTWRCFB-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dithian-2-yl)-2-methyl-2,3-dihydroinden-1-ol
CID 134231641
(1S,9R)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-1,9-diol
CID 51028831
1-(1,3-dithian-2-yl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 15628519
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
CID 141388602
CID 141388602
1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol
CID 14843789
3-(2-hydroxyspiro[1H-indene-3,1'-cyclopentane]-2-yl)propanamide
CID 19983221
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]
CID 101167605
1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 102249674
7-prop-1-en-2-ylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 10103432

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol?
The IUPAC name of 1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol (CID 10518764) is 1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol.
What is the SMILES notation for 1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol?
The canonical SMILES for 1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol is OC1(C2SCCCS2)c2ccccc2CC12CCCC2.
What is the InChIKey of 1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol?
The InChIKey is NEFPWLCCTWRCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS2/c18-17(15-19-10-5-11-20-15)14-7-2-1-6-13(14)12-16(17)8-3-4-9-16/h1-2,6-7,15,18H,3-5,8-12H2.
What are the key properties of 1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol?
1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol has a molecular weight of 306.50 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithian-2-yl)spiro[3H-indene-2,1'-cyclopentane]-1-ol is sourced from PubChem (CID 10518764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).