3,5,5-trimethyloctan-3-ol

C11H24O — CID 123781250

IUPAC3,5,5-trimethyloctan-3-ol
SMILESCCCC(C)(C)CC(C)(O)CC
InChIInChI=1S/C11H24O/c1-6-8-10(3,4)9-11(5,12)7-2/h12H,6-9H2,1-5H3
InChIKeyDNMJEOKLRJMXHW-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.36
Rot. Bonds5

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

3,5,5-trimethyloctan-3-ol (PubChem CID 123781250) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3,5,5-trimethyloctan-3-ol.

Molecular Properties

Compound Name3,5,5-trimethyloctan-3-ol
PubChem CID123781250
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3,5,5-trimethyloctan-3-ol
SMILESCCCC(C)(C)CC(C)(O)CC
InChIInChI=1S/C11H24O/c1-6-8-10(3,4)9-11(5,12)7-2/h12H,6-9H2,1-5H3
InChIKeyDNMJEOKLRJMXHW-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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sodium;hydride;3-methylheptan-3-ol
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1-chloro-3-methylpentan-3-ol
CID 537896
hafnium;3-methylpentan-3-ol
CID 154175223
azane;3-methylpentan-3-ol
CID 87107560
CID 123373948
CID 123373948
(E)-3-methyldec-6-en-3-ol
CID 20571537

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyloctan-3-ol?
The IUPAC name of 3,5,5-trimethyloctan-3-ol (CID 123781250) is 3,5,5-trimethyloctan-3-ol.
What is the SMILES notation for 3,5,5-trimethyloctan-3-ol?
The canonical SMILES for 3,5,5-trimethyloctan-3-ol is CCCC(C)(C)CC(C)(O)CC.
What is the InChIKey of 3,5,5-trimethyloctan-3-ol?
The InChIKey is DNMJEOKLRJMXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-8-10(3,4)9-11(5,12)7-2/h12H,6-9H2,1-5H3.
What are the key properties of 3,5,5-trimethyloctan-3-ol?
3,5,5-trimethyloctan-3-ol has a molecular weight of 172.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyloctan-3-ol is sourced from PubChem (CID 123781250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).