2-undecan-4-yloxypropan-2-ol

C14H30O2 — CID 143949978

IUPAC2-undecan-4-yloxypropan-2-ol
SMILESCCCCCCCC(CCC)OC(C)(C)O
InChIInChI=1S/C14H30O2/c1-5-7-8-9-10-12-13(11-6-2)16-14(3,4)15/h13,15H,5-12H2,1-4H3
InChIKeyLQFBPSMEOJTVSS-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.26
Rot. Bonds10

About 2-undecan-4-yloxypropan-2-ol

2-undecan-4-yloxypropan-2-ol (PubChem CID 143949978) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-undecan-4-yloxypropan-2-ol.

Molecular Properties

Compound Name2-undecan-4-yloxypropan-2-ol
PubChem CID143949978
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2-undecan-4-yloxypropan-2-ol
SMILESCCCCCCCC(CCC)OC(C)(C)O
InChIInChI=1S/C14H30O2/c1-5-7-8-9-10-12-13(11-6-2)16-14(3,4)15/h13,15H,5-12H2,1-4H3
InChIKeyLQFBPSMEOJTVSS-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
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

19-[(2-methylpropan-2-yl)oxy]heptatriacontane
CID 164814152
4-icosan-4-yloxyicosane
CID 87313284
4-hexadecan-5-yloxyhexadecane
CID 57069400
tridecan-4-yloxymethanediol
CID 160683891
4-(trioxidanyl)undecane
CID 140639892
tert-butyl decan-4-yl carbonate
CID 88667315
10-(10-methyl-6-tricosan-10-yloxytridecan-6-yl)oxytricosane
CID 151805682
nonadecan-4-yl hydrogen carbonate
CID 87300318
4-hydroperoxyperoxyundecane
CID 141347874
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
henicosan-4-yl dihydrogen phosphate
CID 175269897

Frequently Asked Questions

What is the IUPAC name of 2-undecan-4-yloxypropan-2-ol?
The IUPAC name of 2-undecan-4-yloxypropan-2-ol (CID 143949978) is 2-undecan-4-yloxypropan-2-ol.
What is the SMILES notation for 2-undecan-4-yloxypropan-2-ol?
The canonical SMILES for 2-undecan-4-yloxypropan-2-ol is CCCCCCCC(CCC)OC(C)(C)O.
What is the InChIKey of 2-undecan-4-yloxypropan-2-ol?
The InChIKey is LQFBPSMEOJTVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-5-7-8-9-10-12-13(11-6-2)16-14(3,4)15/h13,15H,5-12H2,1-4H3.
What are the key properties of 2-undecan-4-yloxypropan-2-ol?
2-undecan-4-yloxypropan-2-ol has a molecular weight of 230.39 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecan-4-yloxypropan-2-ol is sourced from PubChem (CID 143949978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).