2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol

C17H36O2 — CID 15152905

IUPAC2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol
SMILESCC(C)CC(CC(C)C)(CC(C)(C)O)CC(C)(C)O
InChIInChI=1S/C17H36O2/c1-13(2)9-17(10-14(3)4,11-15(5,6)18)12-16(7,8)19/h13-14,18-19H,9-12H2,1-8H3
InChIKeyLIZBBHOOTXBVQY-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.39
Rot. Bonds8

About 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol

2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol (PubChem CID 15152905) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol.

Molecular Properties

Compound Name2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol
PubChem CID15152905
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol
SMILESCC(C)CC(CC(C)C)(CC(C)(C)O)CC(C)(C)O
InChIInChI=1S/C17H36O2/c1-13(2)9-17(10-14(3)4,11-15(5,6)18)12-16(7,8)19/h13-14,18-19H,9-12H2,1-8H3
InChIKeyLIZBBHOOTXBVQY-UHFFFAOYSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
CID 167346782
2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol
CID 91161387
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
4-[[(E)-[2,4-dimethylpentan-2-yl(methyl)amino]diazenyl]-methylamino]-2,4-dimethylpentan-2-ol
CID 146437345
alumane;2,4-dimethylpentane-2,4-diol
CID 175404238
4-[(4-hydroxy-4-methylpentan-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 144530358
2-hydroperoxy-4-methylpentan-2-ol
CID 71403979
1,1-difluoro-2,4-dimethylpentan-2-ol
CID 80605708
5-amino-2,4,4-trimethylhexan-2-ol
CID 123389058
3-tert-butyl-3,5-dimethylhexane-2,2-diol
CID 89484377
acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol
CID 159479828
2-methylpentane-2,4-diol
CID 7870

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol?
The IUPAC name of 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol (CID 15152905) is 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol.
What is the SMILES notation for 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol?
The canonical SMILES for 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol is CC(C)CC(CC(C)C)(CC(C)(C)O)CC(C)(C)O.
What is the InChIKey of 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol?
The InChIKey is LIZBBHOOTXBVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-13(2)9-17(10-14(3)4,11-15(5,6)18)12-16(7,8)19/h13-14,18-19H,9-12H2,1-8H3.
What are the key properties of 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol?
2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol has a molecular weight of 272.47 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol is sourced from PubChem (CID 15152905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).