2-methyl-3-undecoxypropan-1-ol

C15H32O2 — CID 138675065

IUPAC2-methyl-3-undecoxypropan-1-ol
SMILESCCCCCCCCCCCOCC(C)CO
InChIInChI=1S/C15H32O2/c1-3-4-5-6-7-8-9-10-11-12-17-14-15(2)13-16/h15-16H,3-14H2,1-2H3
InChIKeyBASKJLJCSWAQTO-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.16
Rot. Bonds13

About 2-methyl-3-undecoxypropan-1-ol

2-methyl-3-undecoxypropan-1-ol (PubChem CID 138675065) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-methyl-3-undecoxypropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-undecoxypropan-1-ol
PubChem CID138675065
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name2-methyl-3-undecoxypropan-1-ol
SMILESCCCCCCCCCCCOCC(C)CO
InChIInChI=1S/C15H32O2/c1-3-4-5-6-7-8-9-10-11-12-17-14-15(2)13-16/h15-16H,3-14H2,1-2H3
InChIKeyBASKJLJCSWAQTO-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.16
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

2-methyl-3-pentoxypropan-1-ol
CID 56616960
2-(decoxymethyl)propane-1,3-diol
CID 138675067
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
1-(3-chloro-2-methylpropoxy)octane
CID 22002962
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
3-heptoxypropane-1,2-diol;hydrate
CID 22908564

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-undecoxypropan-1-ol?
The IUPAC name of 2-methyl-3-undecoxypropan-1-ol (CID 138675065) is 2-methyl-3-undecoxypropan-1-ol.
What is the SMILES notation for 2-methyl-3-undecoxypropan-1-ol?
The canonical SMILES for 2-methyl-3-undecoxypropan-1-ol is CCCCCCCCCCCOCC(C)CO.
What is the InChIKey of 2-methyl-3-undecoxypropan-1-ol?
The InChIKey is BASKJLJCSWAQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-3-4-5-6-7-8-9-10-11-12-17-14-15(2)13-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-methyl-3-undecoxypropan-1-ol?
2-methyl-3-undecoxypropan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 4.16, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-undecoxypropan-1-ol is sourced from PubChem (CID 138675065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).