2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol

C15H32O2 — CID 155249648

IUPAC2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol
SMILESCC(C)(O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)O
InChIInChI=1S/C15H32O2/c1-11(2,12(3,4)14(7,8)16)13(5,6)15(9,10)17/h16-17H,1-10H3
InChIKeyRLFCTQLFLPIOGI-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.61
Rot. Bonds4

About 2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol

2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol (PubChem CID 155249648) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol
PubChem CID155249648
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol
SMILESCC(C)(O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)O
InChIInChI=1S/C15H32O2/c1-11(2,12(3,4)14(7,8)16)13(5,6)15(9,10)17/h16-17H,1-10H3
InChIKeyRLFCTQLFLPIOGI-UHFFFAOYSA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol?
The IUPAC name of 2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol (CID 155249648) is 2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol.
What is the SMILES notation for 2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol?
The canonical SMILES for 2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol is CC(C)(O)C(C)(C)C(C)(C)C(C)(C)C(C)(C)O.
What is the InChIKey of 2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol?
The InChIKey is RLFCTQLFLPIOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-11(2,12(3,4)14(7,8)16)13(5,6)15(9,10)17/h16-17H,1-10H3.
What are the key properties of 2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol?
2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol has a molecular weight of 244.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6-octamethylheptane-2,6-diol is sourced from PubChem (CID 155249648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).