2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

C17H24O3S — CID 115823293

IUPAC2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc2c(s1)CCCC2)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H24O3S/c18-16(15-9-12-3-1-2-4-14(12)21-15)13-5-7-20-17(10-13)6-8-19-11-17/h9,13,16,18H,1-8,10-11H2
InChIKeyZATVKYTYDPJHTR-UHFFFAOYSA-N
MW308.44 g/mol
LogP3.25
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (PubChem CID 115823293) has the molecular formula C17H24O3S and a molecular weight of 308.44 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
PubChem CID115823293
Molecular FormulaC17H24O3S
Molecular Weight308.44 g/mol
Exact Mass308.14
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc2c(s1)CCCC2)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H24O3S/c18-16(15-9-12-3-1-2-4-14(12)21-15)13-5-7-20-17(10-13)6-8-19-11-17/h9,13,16,18H,1-8,10-11H2
InChIKeyZATVKYTYDPJHTR-UHFFFAOYSA-N
XLogP3.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol with MolForge

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105016956
5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 105010365
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016692
cyclohexyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115802136
(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913948
(4-bromo-5-methylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 102829795
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823298
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-methylcyclohexyl)methanol
CID 115808210

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (CID 115823293) is 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is OC(c1cc2c(s1)CCCC2)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The InChIKey is ZATVKYTYDPJHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3S/c18-16(15-9-12-3-1-2-4-14(12)21-15)13-5-7-20-17(10-13)6-8-19-11-17/h9,13,16,18H,1-8,10-11H2.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol has a molecular weight of 308.44 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 115823293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).