3-ethyl-1-(thiolan-3-yl)heptan-1-ol

C13H26OS — CID 105080644

IUPAC3-ethyl-1-(thiolan-3-yl)heptan-1-ol
SMILESCCCCC(CC)CC(O)C1CCSC1
InChIInChI=1S/C13H26OS/c1-3-5-6-11(4-2)9-13(14)12-7-8-15-10-12/h11-14H,3-10H2,1-2H3
InChIKeyBEWVYXQCTFQAMJ-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.71
Rot. Bonds7

About 3-ethyl-1-(thiolan-3-yl)heptan-1-ol

3-ethyl-1-(thiolan-3-yl)heptan-1-ol (PubChem CID 105080644) has the molecular formula C13H26OS and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-ethyl-1-(thiolan-3-yl)heptan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(thiolan-3-yl)heptan-1-ol
PubChem CID105080644
Molecular FormulaC13H26OS
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name3-ethyl-1-(thiolan-3-yl)heptan-1-ol
SMILESCCCCC(CC)CC(O)C1CCSC1
InChIInChI=1S/C13H26OS/c1-3-5-6-11(4-2)9-13(14)12-7-8-15-10-12/h11-14H,3-10H2,1-2H3
InChIKeyBEWVYXQCTFQAMJ-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-dithian-2-yl)-3-ethylheptan-1-ol
CID 79970852
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328
3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol
CID 79963099
1-cyclopropylheptane-1,3-diol
CID 174466446
1-(thian-3-yl)butan-1-ol
CID 130518370
N,4-diethyl-1-(thian-4-yl)octan-2-amine
CID 105103395
1-cyclopropylpentan-1-ol
CID 551238
3-amino-1-(thiolan-3-yl)propan-1-ol
CID 82652261
1-(thiolan-3-yl)pent-4-yn-1-ol
CID 105098646
N-(2-propylhexyl)thiolan-3-amine
CID 115727503

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(thiolan-3-yl)heptan-1-ol?
The IUPAC name of 3-ethyl-1-(thiolan-3-yl)heptan-1-ol (CID 105080644) is 3-ethyl-1-(thiolan-3-yl)heptan-1-ol.
What is the SMILES notation for 3-ethyl-1-(thiolan-3-yl)heptan-1-ol?
The canonical SMILES for 3-ethyl-1-(thiolan-3-yl)heptan-1-ol is CCCCC(CC)CC(O)C1CCSC1.
What is the InChIKey of 3-ethyl-1-(thiolan-3-yl)heptan-1-ol?
The InChIKey is BEWVYXQCTFQAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OS/c1-3-5-6-11(4-2)9-13(14)12-7-8-15-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(thiolan-3-yl)heptan-1-ol?
3-ethyl-1-(thiolan-3-yl)heptan-1-ol has a molecular weight of 230.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(thiolan-3-yl)heptan-1-ol is sourced from PubChem (CID 105080644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).