3-ethyl-2-methylundecan-2-ol

C14H30O — CID 91236413

IUPAC3-ethyl-2-methylundecan-2-ol
SMILESCCCCCCCCC(CC)C(C)(C)O
InChIInChI=1S/C14H30O/c1-5-7-8-9-10-11-12-13(6-2)14(3,4)15/h13,15H,5-12H2,1-4H3
InChIKeyOWNLSBQDPQJFFV-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.53
Rot. Bonds9

About 3-ethyl-2-methylundecan-2-ol

3-ethyl-2-methylundecan-2-ol (PubChem CID 91236413) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3-ethyl-2-methylundecan-2-ol.

Molecular Properties

Compound Name3-ethyl-2-methylundecan-2-ol
PubChem CID91236413
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3-ethyl-2-methylundecan-2-ol
SMILESCCCCCCCCC(CC)C(C)(C)O
InChIInChI=1S/C14H30O/c1-5-7-8-9-10-11-12-13(6-2)14(3,4)15/h13,15H,5-12H2,1-4H3
InChIKeyOWNLSBQDPQJFFV-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-3-methylbutane-1,3-diol
CID 174875016
4-ethylundecane-3,3-diol
CID 156789030
4-hexyl-2-methyl-3-propan-2-yldodecan-3-ol
CID 170161295
4-heptyl-2-methyl-3-propan-2-yldocosan-3-ol
CID 150620185
3-ethyl-2-methylnonan-2-amine
CID 175488413
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
(2R)-3-hexyl-2-methyldecane-1,2-diol
CID 135254378
9-tert-butylhenicosane
CID 150708915
(2S)-2-butyl-3-methylbutane-1,3-diol
CID 139881591
2-methyldodecane-2,3-diol
CID 90439854
3-ethyl-4-pentyldodecan-3-ol
CID 91804160
2-methylheptadecane-2,3-diol
CID 90439823

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylundecan-2-ol?
The IUPAC name of 3-ethyl-2-methylundecan-2-ol (CID 91236413) is 3-ethyl-2-methylundecan-2-ol.
What is the SMILES notation for 3-ethyl-2-methylundecan-2-ol?
The canonical SMILES for 3-ethyl-2-methylundecan-2-ol is CCCCCCCCC(CC)C(C)(C)O.
What is the InChIKey of 3-ethyl-2-methylundecan-2-ol?
The InChIKey is OWNLSBQDPQJFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-5-7-8-9-10-11-12-13(6-2)14(3,4)15/h13,15H,5-12H2,1-4H3.
What are the key properties of 3-ethyl-2-methylundecan-2-ol?
3-ethyl-2-methylundecan-2-ol has a molecular weight of 214.39 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylundecan-2-ol is sourced from PubChem (CID 91236413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).