3-ethoxy-2-methylundecan-3-ol

C14H30O2 — CID 141088800

IUPAC3-ethoxy-2-methylundecan-3-ol
SMILESCCCCCCCCC(O)(OCC)C(C)C
InChIInChI=1S/C14H30O2/c1-5-7-8-9-10-11-12-14(15,13(3)4)16-6-2/h13,15H,5-12H2,1-4H3
InChIKeyXBWAAHFXVHAECY-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.12
Rot. Bonds10

About 3-ethoxy-2-methylundecan-3-ol

3-ethoxy-2-methylundecan-3-ol (PubChem CID 141088800) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3-ethoxy-2-methylundecan-3-ol.

Molecular Properties

Compound Name3-ethoxy-2-methylundecan-3-ol
PubChem CID141088800
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3-ethoxy-2-methylundecan-3-ol
SMILESCCCCCCCCC(O)(OCC)C(C)C
InChIInChI=1S/C14H30O2/c1-5-7-8-9-10-11-12-14(15,13(3)4)16-6-2/h13,15H,5-12H2,1-4H3
InChIKeyXBWAAHFXVHAECY-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxytetradecan-2-ol
CID 154401470
2,3-dimethyltridecan-3-ol
CID 14591139
4-(triethoxymethyl)dodecan-4-ol
CID 151198690
ruthenium;1,1,1-triethoxydecane
CID 157324278
3-ethyl-2-methylnonan-3-ol
CID 65146597
3,3-difluoro-2-methylnonane
CID 121443889
2,2-diethoxynonane
CID 89439020
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
2-ethoxy-2-methylundecane
CID 150956805
3,3-difluoro-2-methylheptadecane
CID 22951834
14,14-didodecyl-13-propan-2-ylhexacosan-13-ol
CID 23373241
10,10-di(propan-2-yl)octacosane
CID 152510996

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methylundecan-3-ol?
The IUPAC name of 3-ethoxy-2-methylundecan-3-ol (CID 141088800) is 3-ethoxy-2-methylundecan-3-ol.
What is the SMILES notation for 3-ethoxy-2-methylundecan-3-ol?
The canonical SMILES for 3-ethoxy-2-methylundecan-3-ol is CCCCCCCCC(O)(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-2-methylundecan-3-ol?
The InChIKey is XBWAAHFXVHAECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-5-7-8-9-10-11-12-14(15,13(3)4)16-6-2/h13,15H,5-12H2,1-4H3.
What are the key properties of 3-ethoxy-2-methylundecan-3-ol?
3-ethoxy-2-methylundecan-3-ol has a molecular weight of 230.39 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methylundecan-3-ol is sourced from PubChem (CID 141088800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).