2,2,3,5,5-pentamethylheptan-4-ol

C12H26O — CID 156689812

IUPAC2,2,3,5,5-pentamethylheptan-4-ol
SMILESCCC(C)(C)C(O)C(C)C(C)(C)C
InChIInChI=1S/C12H26O/c1-8-12(6,7)10(13)9(2)11(3,4)5/h9-10,13H,8H2,1-7H3
InChIKeyAZOROCCYFQKUMI-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds3

About 2,2,3,5,5-pentamethylheptan-4-ol

2,2,3,5,5-pentamethylheptan-4-ol (PubChem CID 156689812) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,2,3,5,5-pentamethylheptan-4-ol.

Molecular Properties

Compound Name2,2,3,5,5-pentamethylheptan-4-ol
PubChem CID156689812
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,2,3,5,5-pentamethylheptan-4-ol
SMILESCCC(C)(C)C(O)C(C)C(C)(C)C
InChIInChI=1S/C12H26O/c1-8-12(6,7)10(13)9(2)11(3,4)5/h9-10,13H,8H2,1-7H3
InChIKeyAZOROCCYFQKUMI-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 139972408
2-amino-2,4,5,5-tetramethylhexan-3-ol
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CID 58403064
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane
CID 123540393
2,3,5,6,7,7-hexamethylnonane
CID 123984490
2,2,3,4,5,5,7-heptamethylnonane
CID 123300553
2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
CID 158901240
2,4,4-trimethyloctan-3-ol
CID 57242612
3,3,4-trimethyl-5-propan-2-yloctane
CID 57492714
1-methoxy-2,2-dimethylbutan-1-ol
CID 20675645
2-methylpropane;2,2,4-trimethylpentane-1,3-diol
CID 160920366

Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,5-pentamethylheptan-4-ol?
The IUPAC name of 2,2,3,5,5-pentamethylheptan-4-ol (CID 156689812) is 2,2,3,5,5-pentamethylheptan-4-ol.
What is the SMILES notation for 2,2,3,5,5-pentamethylheptan-4-ol?
The canonical SMILES for 2,2,3,5,5-pentamethylheptan-4-ol is CCC(C)(C)C(O)C(C)C(C)(C)C.
What is the InChIKey of 2,2,3,5,5-pentamethylheptan-4-ol?
The InChIKey is AZOROCCYFQKUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-8-12(6,7)10(13)9(2)11(3,4)5/h9-10,13H,8H2,1-7H3.
What are the key properties of 2,2,3,5,5-pentamethylheptan-4-ol?
2,2,3,5,5-pentamethylheptan-4-ol has a molecular weight of 186.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,5-pentamethylheptan-4-ol is sourced from PubChem (CID 156689812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).