2,4,4,5-tetramethylheptan-2-ol

C11H24O — CID 123728080

IUPAC2,4,4,5-tetramethylheptan-2-ol
SMILESCCC(C)C(C)(C)CC(C)(C)O
InChIInChI=1S/C11H24O/c1-7-9(2)10(3,4)8-11(5,6)12/h9,12H,7-8H2,1-6H3
InChIKeyXBVPPVYILFOIFI-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds4

About 2,4,4,5-tetramethylheptan-2-ol

2,4,4,5-tetramethylheptan-2-ol (PubChem CID 123728080) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,4,4,5-tetramethylheptan-2-ol.

Molecular Properties

Compound Name2,4,4,5-tetramethylheptan-2-ol
PubChem CID123728080
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,4,4,5-tetramethylheptan-2-ol
SMILESCCC(C)C(C)(C)CC(C)(C)O
InChIInChI=1S/C11H24O/c1-7-9(2)10(3,4)8-11(5,6)12/h9,12H,7-8H2,1-6H3
InChIKeyXBVPPVYILFOIFI-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

5-amino-2,4,4-trimethylhexan-2-ol
CID 123389058
(3R,4R)-2,2,3,4-tetramethylhexan-3-ol
CID 170849873
2,3,4-trimethylhexane-2,3-diol
CID 12714107
1-fluoro-3,3,4-trimethylhexane
CID 123778940
3,3,4,5-tetramethylheptan-4-ol
CID 22899418
4,4,5-trimethylheptan-2-amine
CID 79446390
2,5,5,6-tetramethyloctane
CID 53424276
alumane;2,4-dimethylpentane-2,4-diol
CID 175404238
1-amino-2,3,4-trimethylhexan-3-ol
CID 79135211
3,4,5,6-tetramethyloctan-4-ol
CID 121007351
4,6-di(butan-2-yl)-5-ethyl-3,7-dimethylnonane-4,6-diol
CID 175564965
2,3-dimethylpentan-2-yl(trimethyl)-λ4-sulfane
CID 146190296

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5-tetramethylheptan-2-ol?
The IUPAC name of 2,4,4,5-tetramethylheptan-2-ol (CID 123728080) is 2,4,4,5-tetramethylheptan-2-ol.
What is the SMILES notation for 2,4,4,5-tetramethylheptan-2-ol?
The canonical SMILES for 2,4,4,5-tetramethylheptan-2-ol is CCC(C)C(C)(C)CC(C)(C)O.
What is the InChIKey of 2,4,4,5-tetramethylheptan-2-ol?
The InChIKey is XBVPPVYILFOIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-7-9(2)10(3,4)8-11(5,6)12/h9,12H,7-8H2,1-6H3.
What are the key properties of 2,4,4,5-tetramethylheptan-2-ol?
2,4,4,5-tetramethylheptan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetramethylheptan-2-ol is sourced from PubChem (CID 123728080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).