2-decoxy-2-methylbutan-1-ol

C15H32O2 — CID 152517276

IUPAC2-decoxy-2-methylbutan-1-ol
SMILESCCCCCCCCCCOC(C)(CC)CO
InChIInChI=1S/C15H32O2/c1-4-6-7-8-9-10-11-12-13-17-15(3,5-2)14-16/h16H,4-14H2,1-3H3
InChIKeyYGUBGOSJPYAYFP-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.30
Rot. Bonds12

About 2-decoxy-2-methylbutan-1-ol

2-decoxy-2-methylbutan-1-ol (PubChem CID 152517276) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-decoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-decoxy-2-methylbutan-1-ol
PubChem CID152517276
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name2-decoxy-2-methylbutan-1-ol
SMILESCCCCCCCCCCOC(C)(CC)CO
InChIInChI=1S/C15H32O2/c1-4-6-7-8-9-10-11-12-13-17-15(3,5-2)14-16/h16H,4-14H2,1-3H3
InChIKeyYGUBGOSJPYAYFP-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.30
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-hexoxypropane-1,2-diol
CID 87299743
2-hexoxy-N,2-dimethylbutan-1-amine
CID 62354031
9-heptoxy-9-methylhenicosane
CID 91127088
carbanide;2,2-diheptoxypropan-1-ol;yttrium
CID 58517147
N-ethyl-2-hexoxy-2-methylbutan-1-amine
CID 62354032
2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
CID 90988843
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
azane;2-dodecoxypropan-2-ol
CID 87960511
2,2-dibutoxypropan-1-ol
CID 145497919
1-(2,3-dimethylbutan-2-yloxy)decane
CID 172756117
3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol
CID 103377362

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-2-methylbutan-1-ol?
The IUPAC name of 2-decoxy-2-methylbutan-1-ol (CID 152517276) is 2-decoxy-2-methylbutan-1-ol.
What is the SMILES notation for 2-decoxy-2-methylbutan-1-ol?
The canonical SMILES for 2-decoxy-2-methylbutan-1-ol is CCCCCCCCCCOC(C)(CC)CO.
What is the InChIKey of 2-decoxy-2-methylbutan-1-ol?
The InChIKey is YGUBGOSJPYAYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-4-6-7-8-9-10-11-12-13-17-15(3,5-2)14-16/h16H,4-14H2,1-3H3.
What are the key properties of 2-decoxy-2-methylbutan-1-ol?
2-decoxy-2-methylbutan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 4.30, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-2-methylbutan-1-ol is sourced from PubChem (CID 152517276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).