2,2,4,6-tetramethylheptan-1-ol

C11H24O — CID 156689267

IUPAC2,2,4,6-tetramethylheptan-1-ol
SMILESCC(C)CC(C)CC(C)(C)CO
InChIInChI=1S/C11H24O/c1-9(2)6-10(3)7-11(4,5)8-12/h9-10,12H,6-8H2,1-5H3
InChIKeyFXKGVQGNTOGJCB-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.08
Rot. Bonds5

About 2,2,4,6-tetramethylheptan-1-ol

2,2,4,6-tetramethylheptan-1-ol (PubChem CID 156689267) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,2,4,6-tetramethylheptan-1-ol.

Molecular Properties

Compound Name2,2,4,6-tetramethylheptan-1-ol
PubChem CID156689267
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,2,4,6-tetramethylheptan-1-ol
SMILESCC(C)CC(C)CC(C)(C)CO
InChIInChI=1S/C11H24O/c1-9(2)6-10(3)7-11(4,5)8-12/h9-10,12H,6-8H2,1-5H3
InChIKeyFXKGVQGNTOGJCB-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4-trimethylhexan-1-ol
CID 14747424
2,3,5,7-tetramethyl-3-propan-2-yloctane
CID 58719452
2,4,6,8,10-pentamethylundecan-6-ol
CID 134857682
2-(2,2,4,6-tetramethylheptyl)guanidine
CID 146262841
2,3,3,5,7-pentamethyloctane
CID 57491096
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
4,6,8-trimethylnonan-4-ol
CID 54063112
2,2,4,8,10-pentamethylundecan-6-amine
CID 114201813
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
(2S)-2-ethyl-2,4,6-trimethylheptanoic acid;2-methylpropane
CID 178133333
CID 87364467
CID 87364467
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6-tetramethylheptan-1-ol?
The IUPAC name of 2,2,4,6-tetramethylheptan-1-ol (CID 156689267) is 2,2,4,6-tetramethylheptan-1-ol.
What is the SMILES notation for 2,2,4,6-tetramethylheptan-1-ol?
The canonical SMILES for 2,2,4,6-tetramethylheptan-1-ol is CC(C)CC(C)CC(C)(C)CO.
What is the InChIKey of 2,2,4,6-tetramethylheptan-1-ol?
The InChIKey is FXKGVQGNTOGJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-9(2)6-10(3)7-11(4,5)8-12/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2,2,4,6-tetramethylheptan-1-ol?
2,2,4,6-tetramethylheptan-1-ol has a molecular weight of 172.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetramethylheptan-1-ol is sourced from PubChem (CID 156689267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).