3-ethyl-1-propan-2-yloxyheptan-2-ol

C12H26O2 — CID 115821475

IUPAC3-ethyl-1-propan-2-yloxyheptan-2-ol
SMILESCCCCC(CC)C(O)COC(C)C
InChIInChI=1S/C12H26O2/c1-5-7-8-11(6-2)12(13)9-14-10(3)4/h10-13H,5-9H2,1-4H3
InChIKeyAFNDFMMDBSZFDL-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds8

About 3-ethyl-1-propan-2-yloxyheptan-2-ol

3-ethyl-1-propan-2-yloxyheptan-2-ol (PubChem CID 115821475) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-yloxyheptan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-propan-2-yloxyheptan-2-ol
PubChem CID115821475
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-ethyl-1-propan-2-yloxyheptan-2-ol
SMILESCCCCC(CC)C(O)COC(C)C
InChIInChI=1S/C12H26O2/c1-5-7-8-11(6-2)12(13)9-14-10(3)4/h10-13H,5-9H2,1-4H3
InChIKeyAFNDFMMDBSZFDL-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-propoxyheptan-2-ol
CID 115818893
7-ethyl-2-methylundecan-6-ol
CID 115829942
4-ethyloctane-1,3-diol
CID 57022453
5-ethyl-2-iodononan-4-ol
CID 118984335
4-ethylnonan-3-ol
CID 135150430
5,7-diethylundecan-6-ol
CID 89253066
1-cyclopropyl-3-ethylheptan-2-ol
CID 115804014
7-ethylpentadecan-8-ol
CID 91407819
6-ethyloctadecan-7-ol
CID 22321194
3-ethoxy-1-propan-2-yloxybutan-2-ol
CID 79567454
1,2-di(propan-2-yloxy)hexane
CID 71465189
1-(1-ethoxyethoxy)-2-ethylhexan-1-ol
CID 18690221

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-yloxyheptan-2-ol?
The IUPAC name of 3-ethyl-1-propan-2-yloxyheptan-2-ol (CID 115821475) is 3-ethyl-1-propan-2-yloxyheptan-2-ol.
What is the SMILES notation for 3-ethyl-1-propan-2-yloxyheptan-2-ol?
The canonical SMILES for 3-ethyl-1-propan-2-yloxyheptan-2-ol is CCCCC(CC)C(O)COC(C)C.
What is the InChIKey of 3-ethyl-1-propan-2-yloxyheptan-2-ol?
The InChIKey is AFNDFMMDBSZFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-7-8-11(6-2)12(13)9-14-10(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-propan-2-yloxyheptan-2-ol?
3-ethyl-1-propan-2-yloxyheptan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-yloxyheptan-2-ol is sourced from PubChem (CID 115821475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).