2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol

C14H26O2 — CID 15438229

IUPAC2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol
SMILESCC(C)=C=C(C(C)(C)O)C(C)(C)C(C)(C)O
InChIInChI=1S/C14H26O2/c1-10(2)9-11(13(5,6)15)12(3,4)14(7,8)16/h15-16H,1-8H3
InChIKeyFPBULLWBTPKNAC-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.05
Rot. Bonds3

About 2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol

2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol (PubChem CID 15438229) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol.

Molecular Properties

Compound Name2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol
PubChem CID15438229
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol
SMILESCC(C)=C=C(C(C)(C)O)C(C)(C)C(C)(C)O
InChIInChI=1S/C14H26O2/c1-10(2)9-11(13(5,6)15)12(3,4)14(7,8)16/h15-16H,1-8H3
InChIKeyFPBULLWBTPKNAC-UHFFFAOYSA-N
XLogP3.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol?
The IUPAC name of 2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol (CID 15438229) is 2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol.
What is the SMILES notation for 2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol?
The canonical SMILES for 2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol is CC(C)=C=C(C(C)(C)O)C(C)(C)C(C)(C)O.
What is the InChIKey of 2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol?
The InChIKey is FPBULLWBTPKNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)9-11(13(5,6)15)12(3,4)14(7,8)16/h15-16H,1-8H3.
What are the key properties of 2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol?
2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol has a molecular weight of 226.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetramethyl-4-(2-methylprop-1-enylidene)hexane-2,5-diol is sourced from PubChem (CID 15438229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).