2,4,4-trimethyloctan-3-ol

C11H24O — CID 57242612

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

About 2,4,4-trimethyloctan-3-ol

2,4,4-trimethyloctan-3-ol (PubChem CID 57242612) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,4,4-trimethyloctan-3-ol.

Molecular Properties

Compound Name2,4,4-trimethyloctan-3-ol
PubChem CID57242612
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,4,4-trimethyloctan-3-ol
SMILESCCCCC(C)(C)C(O)C(C)C
InChIInChI=1S/C11H24O/c1-6-7-8-11(4,5)10(12)9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyRHKIGKUOROKCNC-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

3,3-dimethylnonan-2-ol
CID 19931299
3,3-dimethyldecan-2-ol
CID 87975868
2-butyl-2-ethyl-4-methylpentane-1,3-diol
CID 19375182
4,4-dimethylhexadecan-3-ol
CID 168719984
2,2,4,4-tetramethyl-3-propan-2-ylnonane
CID 21202923
(3S)-4,4-dimethyloct-1-yn-3-ol
CID 54523501
2-methylpropane;2,2,4-trimethylpentane-1,3-diol
CID 160920366
2,2,4-trimethylpentane-1,3-diol;hydrate
CID 176902266
2,3,3-trimethylheptanoyl chloride
CID 134874376
1,1,1-trifluoro-2,3,3-trimethylheptane
CID 126723403
(3R)-3-methyl-3-propan-2-ylheptan-2-ol
CID 126716836
[(3R)-3-hydroxy-2,2,4-trimethylpentyl] nonanoate
CID 3085637

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyloctan-3-ol?
The IUPAC name of 2,4,4-trimethyloctan-3-ol (CID 57242612) is 2,4,4-trimethyloctan-3-ol.
What is the SMILES notation for 2,4,4-trimethyloctan-3-ol?
The canonical SMILES for 2,4,4-trimethyloctan-3-ol is CCCCC(C)(C)C(O)C(C)C.
What is the InChIKey of 2,4,4-trimethyloctan-3-ol?
The InChIKey is RHKIGKUOROKCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-7-8-11(4,5)10(12)9(2)3/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2,4,4-trimethyloctan-3-ol?
2,4,4-trimethyloctan-3-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 2,4,4-trimethyloctan-3-ol is sourced from PubChem (CID 57242612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).