2,3,5-trimethyloctan-2-ol

C11H24O — CID 123479971

IUPAC2,3,5-trimethyloctan-2-ol
SMILESCCCC(C)CC(C)C(C)(C)O
InChIInChI=1S/C11H24O/c1-6-7-9(2)8-10(3)11(4,5)12/h9-10,12H,6-8H2,1-5H3
InChIKeyQMLVXOGGNFEFPU-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds5

About 2,3,5-trimethyloctan-2-ol

2,3,5-trimethyloctan-2-ol (PubChem CID 123479971) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,3,5-trimethyloctan-2-ol.

Molecular Properties

Compound Name2,3,5-trimethyloctan-2-ol
PubChem CID123479971
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,3,5-trimethyloctan-2-ol
SMILESCCCC(C)CC(C)C(C)(C)O
InChIInChI=1S/C11H24O/c1-6-7-9(2)8-10(3)11(4,5)12/h9-10,12H,6-8H2,1-5H3
InChIKeyQMLVXOGGNFEFPU-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-methylheptane
CID 11512
barium(2+);hydride;2-(2-methylpentyl)propanedioic acid
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3,3,5,7-tetramethyldecane
CID 57491663
5-methyloctan-3-ol
CID 19931017
9-ethyl-2,2,6,11-tetramethyltetradecane
CID 123159267
4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane
CID 123401102
1,1,1-trifluoro-5-methyloctan-3-ol
CID 62607846
2,3,6-trimethylheptan-2-ol
CID 59087571
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyloctan-2-ol?
The IUPAC name of 2,3,5-trimethyloctan-2-ol (CID 123479971) is 2,3,5-trimethyloctan-2-ol.
What is the SMILES notation for 2,3,5-trimethyloctan-2-ol?
The canonical SMILES for 2,3,5-trimethyloctan-2-ol is CCCC(C)CC(C)C(C)(C)O.
What is the InChIKey of 2,3,5-trimethyloctan-2-ol?
The InChIKey is QMLVXOGGNFEFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-7-9(2)8-10(3)11(4,5)12/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2,3,5-trimethyloctan-2-ol?
2,3,5-trimethyloctan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyloctan-2-ol is sourced from PubChem (CID 123479971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).