2,4,4,5,5-pentamethylhexan-2-ol

C11H24O — CID 91264056

IUPAC2,4,4,5,5-pentamethylhexan-2-ol
SMILESCC(C)(O)CC(C)(C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-9(2,3)10(4,5)8-11(6,7)12/h12H,8H2,1-7H3
InChIKeyBXLOCXKXRUEFTQ-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds2

About 2,4,4,5,5-pentamethylhexan-2-ol

2,4,4,5,5-pentamethylhexan-2-ol (PubChem CID 91264056) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethylhexan-2-ol.

Molecular Properties

Compound Name2,4,4,5,5-pentamethylhexan-2-ol
PubChem CID91264056
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,4,4,5,5-pentamethylhexan-2-ol
SMILESCC(C)(O)CC(C)(C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-9(2,3)10(4,5)8-11(6,7)12/h12H,8H2,1-7H3
InChIKeyBXLOCXKXRUEFTQ-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentamethylhexan-2-ol?
The IUPAC name of 2,4,4,5,5-pentamethylhexan-2-ol (CID 91264056) is 2,4,4,5,5-pentamethylhexan-2-ol.
What is the SMILES notation for 2,4,4,5,5-pentamethylhexan-2-ol?
The canonical SMILES for 2,4,4,5,5-pentamethylhexan-2-ol is CC(C)(O)CC(C)(C)C(C)(C)C.
What is the InChIKey of 2,4,4,5,5-pentamethylhexan-2-ol?
The InChIKey is BXLOCXKXRUEFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-9(2,3)10(4,5)8-11(6,7)12/h12H,8H2,1-7H3.
What are the key properties of 2,4,4,5,5-pentamethylhexan-2-ol?
2,4,4,5,5-pentamethylhexan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethylhexan-2-ol is sourced from PubChem (CID 91264056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).