2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol

C18H38O2 — CID 150498499

IUPAC2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol
SMILESCCCCCCCCC(C(C)(C)C)C(C)(C)OCCO
InChIInChI=1S/C18H38O2/c1-7-8-9-10-11-12-13-16(17(2,3)4)18(5,6)20-15-14-19/h16,19H,7-15H2,1-6H3
InChIKeyHXHOPANPKDSRHX-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.19
Rot. Bonds11

About 2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol

2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol (PubChem CID 150498499) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol
PubChem CID150498499
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol
SMILESCCCCCCCCC(C(C)(C)C)C(C)(C)OCCO
InChIInChI=1S/C18H38O2/c1-7-8-9-10-11-12-13-16(17(2,3)4)18(5,6)20-15-14-19/h16,19H,7-15H2,1-6H3
InChIKeyHXHOPANPKDSRHX-UHFFFAOYSA-N
XLogP5.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.19
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

1-amino-4-(3-tert-butyl-2-methylundecan-2-yl)oxybutan-2-ol
CID 150797805
2-(2,3-dimethyloctan-2-yloxy)ethanol
CID 142712474
2-(3-tert-butyl-2-methylundecan-2-yl)oxyacetic acid
CID 151672667
2-(3-tert-butyl-2-methylundecan-2-yl)oxyacetaldehyde
CID 151299971
2-docosan-10-yloxyethanol
CID 173141834
4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine
CID 152672713
2,2-dimethyl-3-(2-oct-1-yn-3-yloxypropan-2-yl)undecane
CID 152731804
12-butoxyoctadecan-1-ol
CID 139752074
5-docosan-5-yloxypentan-1-ol
CID 139884775
4-tert-butyl-3,3-dimethoxy-2,2-dimethyldodecane
CID 152688982
2-(2,3-dimethyloctan-3-yloxy)ethanol
CID 142712610
3-octyldodecane-1,12-diol
CID 141481121

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol?
The IUPAC name of 2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol (CID 150498499) is 2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol.
What is the SMILES notation for 2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol?
The canonical SMILES for 2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol is CCCCCCCCC(C(C)(C)C)C(C)(C)OCCO.
What is the InChIKey of 2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol?
The InChIKey is HXHOPANPKDSRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-7-8-9-10-11-12-13-16(17(2,3)4)18(5,6)20-15-14-19/h16,19H,7-15H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol?
2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol has a molecular weight of 286.50 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methylundecan-2-yl)oxyethanol is sourced from PubChem (CID 150498499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).