2,5,5-trimethylhexan-2-ol

C9H20O — CID 12545358

IUPAC2,5,5-trimethylhexan-2-ol
SMILESCC(C)(C)CCC(C)(C)O
InChIInChI=1S/C9H20O/c1-8(2,3)6-7-9(4,5)10/h10H,6-7H2,1-5H3
InChIKeyASOCSFZHADJKFU-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.58
Rot. Bonds2

About 2,5,5-trimethylhexan-2-ol

2,5,5-trimethylhexan-2-ol (PubChem CID 12545358) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2,5,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name2,5,5-trimethylhexan-2-ol
PubChem CID12545358
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2,5,5-trimethylhexan-2-ol
SMILESCC(C)(C)CCC(C)(C)O
InChIInChI=1S/C9H20O/c1-8(2,3)6-7-9(4,5)10/h10H,6-7H2,1-5H3
InChIKeyASOCSFZHADJKFU-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylhexan-2-ol?
The IUPAC name of 2,5,5-trimethylhexan-2-ol (CID 12545358) is 2,5,5-trimethylhexan-2-ol.
What is the SMILES notation for 2,5,5-trimethylhexan-2-ol?
The canonical SMILES for 2,5,5-trimethylhexan-2-ol is CC(C)(C)CCC(C)(C)O.
What is the InChIKey of 2,5,5-trimethylhexan-2-ol?
The InChIKey is ASOCSFZHADJKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-8(2,3)6-7-9(4,5)10/h10H,6-7H2,1-5H3.
What are the key properties of 2,5,5-trimethylhexan-2-ol?
2,5,5-trimethylhexan-2-ol has a molecular weight of 144.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylhexan-2-ol is sourced from PubChem (CID 12545358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).