3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol

C13H26O2S — CID 79963099

IUPAC3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol
SMILESCCCCC(CC)CC(O)C1CSCCO1
InChIInChI=1S/C13H26O2S/c1-3-5-6-11(4-2)9-12(14)13-10-16-8-7-15-13/h11-14H,3-10H2,1-2H3
InChIKeyQYNNNUNUMIYNHQ-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.09
Rot. Bonds7

About 3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol

3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol (PubChem CID 79963099) has the molecular formula C13H26O2S and a molecular weight of 246.42 g/mol. Its IUPAC name is 3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol
PubChem CID79963099
Molecular FormulaC13H26O2S
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol
SMILESCCCCC(CC)CC(O)C1CSCCO1
InChIInChI=1S/C13H26O2S/c1-3-5-6-11(4-2)9-12(14)13-10-16-8-7-15-13/h11-14H,3-10H2,1-2H3
InChIKeyQYNNNUNUMIYNHQ-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine
CID 79963234
N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine
CID 79962851
3-ethyl-1-(thiolan-3-yl)heptan-1-ol
CID 105080644
1-(1,4-dithian-2-yl)-3-ethylheptan-1-ol
CID 79970852
3-ethyl-1-(4-propylmorpholin-2-yl)heptan-1-ol
CID 79657527
(1S)-1-(1,4-oxathian-2-yl)propan-1-amine
CID 104932260
4-methylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-ol
CID 79963686
N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine
CID 79962336
3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
CID 65425475
3-ethyl-1-(4-methylcyclohexyl)heptan-1-ol
CID 63410678
1-(1,4-oxathian-2-yl)heptylhydrazine
CID 105249713
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol?
The IUPAC name of 3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol (CID 79963099) is 3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol.
What is the SMILES notation for 3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol?
The canonical SMILES for 3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol is CCCCC(CC)CC(O)C1CSCCO1.
What is the InChIKey of 3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol?
The InChIKey is QYNNNUNUMIYNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2S/c1-3-5-6-11(4-2)9-12(14)13-10-16-8-7-15-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol?
3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol has a molecular weight of 246.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol is sourced from PubChem (CID 79963099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).