3-(1-ethoxypropyl)-2-methylheptan-2-ol

C13H28O2 — CID 156560648

IUPAC3-(1-ethoxypropyl)-2-methylheptan-2-ol
SMILESCCCCC(C(CC)OCC)C(C)(C)O
InChIInChI=1S/C13H28O2/c1-6-9-10-11(13(4,5)14)12(7-2)15-8-3/h11-12,14H,6-10H2,1-5H3
InChIKeyAVZHSQGZKPFMKH-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.38
Rot. Bonds8

About 3-(1-ethoxypropyl)-2-methylheptan-2-ol

3-(1-ethoxypropyl)-2-methylheptan-2-ol (PubChem CID 156560648) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3-(1-ethoxypropyl)-2-methylheptan-2-ol.

Molecular Properties

Compound Name3-(1-ethoxypropyl)-2-methylheptan-2-ol
PubChem CID156560648
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3-(1-ethoxypropyl)-2-methylheptan-2-ol
SMILESCCCCC(C(CC)OCC)C(C)(C)O
InChIInChI=1S/C13H28O2/c1-6-9-10-11(13(4,5)14)12(7-2)15-8-3/h11-12,14H,6-10H2,1-5H3
InChIKeyAVZHSQGZKPFMKH-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropyl)-2-methylheptan-2-ol?
The IUPAC name of 3-(1-ethoxypropyl)-2-methylheptan-2-ol (CID 156560648) is 3-(1-ethoxypropyl)-2-methylheptan-2-ol.
What is the SMILES notation for 3-(1-ethoxypropyl)-2-methylheptan-2-ol?
The canonical SMILES for 3-(1-ethoxypropyl)-2-methylheptan-2-ol is CCCCC(C(CC)OCC)C(C)(C)O.
What is the InChIKey of 3-(1-ethoxypropyl)-2-methylheptan-2-ol?
The InChIKey is AVZHSQGZKPFMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-9-10-11(13(4,5)14)12(7-2)15-8-3/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 3-(1-ethoxypropyl)-2-methylheptan-2-ol?
3-(1-ethoxypropyl)-2-methylheptan-2-ol has a molecular weight of 216.36 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropyl)-2-methylheptan-2-ol is sourced from PubChem (CID 156560648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).