1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol

C13H24OS — CID 175550640

IUPAC1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)C1C=CSC1
InChIInChI=1S/C13H24OS/c1-3-5-6-11(4-2)9-13(14)12-7-8-15-10-12/h7-8,11-14H,3-6,9-10H2,1-2H3
InChIKeyLLDPBWMNQDMFQI-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.83
Rot. Bonds7

About 1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol

1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol (PubChem CID 175550640) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol
PubChem CID175550640
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)C1C=CSC1
InChIInChI=1S/C13H24OS/c1-3-5-6-11(4-2)9-13(14)12-7-8-15-10-12/h7-8,11-14H,3-6,9-10H2,1-2H3
InChIKeyLLDPBWMNQDMFQI-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol?
The IUPAC name of 1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol (CID 175550640) is 1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol?
The canonical SMILES for 1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol is CCCCC(CC)CC(O)C1C=CSC1.
What is the InChIKey of 1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol?
The InChIKey is LLDPBWMNQDMFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS/c1-3-5-6-11(4-2)9-13(14)12-7-8-15-10-12/h7-8,11-14H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol?
1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol has a molecular weight of 228.40 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-3-yl)-3-ethylheptan-1-ol is sourced from PubChem (CID 175550640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).