3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol

C16H24O2S — CID 115809348

IUPAC3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C16H24O2S/c17-14(9-8-13-6-4-10-18-13)16-11-12-5-2-1-3-7-15(12)19-16/h11,13-14,17H,1-10H2
InChIKeyFJOQTVZGMKGBPR-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.01
Rot. Bonds4

About 3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol

3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol (PubChem CID 115809348) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol
PubChem CID115809348
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Name3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C16H24O2S/c17-14(9-8-13-6-4-10-18-13)16-11-12-5-2-1-3-7-15(12)19-16/h11,13-14,17H,1-10H2
InChIKeyFJOQTVZGMKGBPR-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol?
The IUPAC name of 3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol (CID 115809348) is 3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol is OC(CCC1CCCO1)c1cc2c(s1)CCCCC2.
What is the InChIKey of 3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol?
The InChIKey is FJOQTVZGMKGBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c17-14(9-8-13-6-4-10-18-13)16-11-12-5-2-1-3-7-15(12)19-16/h11,13-14,17H,1-10H2.
What are the key properties of 3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol?
3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol has a molecular weight of 280.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol is sourced from PubChem (CID 115809348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).