3-ethyl-1-propoxyheptan-2-ol

C12H26O2 — CID 115818893

IUPAC3-ethyl-1-propoxyheptan-2-ol
SMILESCCCCC(CC)C(O)COCCC
InChIInChI=1S/C12H26O2/c1-4-7-8-11(6-3)12(13)10-14-9-5-2/h11-13H,4-10H2,1-3H3
InChIKeyWIMYHUSLCPCVEF-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds9

About 3-ethyl-1-propoxyheptan-2-ol

3-ethyl-1-propoxyheptan-2-ol (PubChem CID 115818893) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-ethyl-1-propoxyheptan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-propoxyheptan-2-ol
PubChem CID115818893
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-ethyl-1-propoxyheptan-2-ol
SMILESCCCCC(CC)C(O)COCCC
InChIInChI=1S/C12H26O2/c1-4-7-8-11(6-3)12(13)10-14-9-5-2/h11-13H,4-10H2,1-3H3
InChIKeyWIMYHUSLCPCVEF-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-propan-2-yloxyheptan-2-ol
CID 115821475
4-ethyloctane-1,3-diol
CID 57022453
4-ethylnonan-3-ol
CID 135150430
5,7-diethylundecan-6-ol
CID 89253066
3-[(2S)-3-ethyl-2-hydroxyhexoxy]propanoic acid
CID 174164687
7-ethylpentadecan-8-ol
CID 91407819
(2R)-1-butoxybutan-2-ol
CID 27255938
6-ethyloctadecan-7-ol
CID 22321194
7-ethyl-2-methylundecan-6-ol
CID 115829942
1-pentoxyoctane-2,3-diol
CID 88758443
4-ethyl-1-[3-(4-ethyl-2-hydroxyoctoxy)propoxy]octan-2-ol
CID 175206143
5-ethyl-2-iodononan-4-ol
CID 118984335

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propoxyheptan-2-ol?
The IUPAC name of 3-ethyl-1-propoxyheptan-2-ol (CID 115818893) is 3-ethyl-1-propoxyheptan-2-ol.
What is the SMILES notation for 3-ethyl-1-propoxyheptan-2-ol?
The canonical SMILES for 3-ethyl-1-propoxyheptan-2-ol is CCCCC(CC)C(O)COCCC.
What is the InChIKey of 3-ethyl-1-propoxyheptan-2-ol?
The InChIKey is WIMYHUSLCPCVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-7-8-11(6-3)12(13)10-14-9-5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-1-propoxyheptan-2-ol?
3-ethyl-1-propoxyheptan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propoxyheptan-2-ol is sourced from PubChem (CID 115818893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).