4,4,7,7-tetramethyloctan-2-ol

C12H26O — CID 64716189

IUPAC4,4,7,7-tetramethyloctan-2-ol
SMILESCC(O)CC(C)(C)CCC(C)(C)C
InChIInChI=1S/C12H26O/c1-10(13)9-12(5,6)8-7-11(2,3)4/h10,13H,7-9H2,1-6H3
InChIKeyMWBDTRDPRBVJAW-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds4

About 4,4,7,7-tetramethyloctan-2-ol

4,4,7,7-tetramethyloctan-2-ol (PubChem CID 64716189) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4,4,7,7-tetramethyloctan-2-ol.

Molecular Properties

Compound Name4,4,7,7-tetramethyloctan-2-ol
PubChem CID64716189
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4,4,7,7-tetramethyloctan-2-ol
SMILESCC(O)CC(C)(C)CCC(C)(C)C
InChIInChI=1S/C12H26O/c1-10(13)9-12(5,6)8-7-11(2,3)4/h10,13H,7-9H2,1-6H3
InChIKeyMWBDTRDPRBVJAW-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methylpentane-2,4-diol
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Frequently Asked Questions

What is the IUPAC name of 4,4,7,7-tetramethyloctan-2-ol?
The IUPAC name of 4,4,7,7-tetramethyloctan-2-ol (CID 64716189) is 4,4,7,7-tetramethyloctan-2-ol.
What is the SMILES notation for 4,4,7,7-tetramethyloctan-2-ol?
The canonical SMILES for 4,4,7,7-tetramethyloctan-2-ol is CC(O)CC(C)(C)CCC(C)(C)C.
What is the InChIKey of 4,4,7,7-tetramethyloctan-2-ol?
The InChIKey is MWBDTRDPRBVJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-10(13)9-12(5,6)8-7-11(2,3)4/h10,13H,7-9H2,1-6H3.
What are the key properties of 4,4,7,7-tetramethyloctan-2-ol?
4,4,7,7-tetramethyloctan-2-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,7-tetramethyloctan-2-ol is sourced from PubChem (CID 64716189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).