2-methylpropane;2,2,4-trimethylpentane-1,3-diol

C12H28O2 — CID 160920366

IUPAC2-methylpropane;2,2,4-trimethylpentane-1,3-diol
SMILESCC(C)C.CC(C)C(O)C(C)(C)CO
InChIInChI=1S/C8H18O2.C4H10/c1-6(2)7(10)8(3,4)5-9;1-4(2)3/h6-7,9-10H,5H2,1-4H3;4H,1-3H3
InChIKeySRYGJGPXOUCJDJ-UHFFFAOYSA-N
MW204.35 g/mol
LogP2.68
Rot. Bonds3

About 2-methylpropane;2,2,4-trimethylpentane-1,3-diol

2-methylpropane;2,2,4-trimethylpentane-1,3-diol (PubChem CID 160920366) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is 2-methylpropane;2,2,4-trimethylpentane-1,3-diol.

Molecular Properties

Compound Name2-methylpropane;2,2,4-trimethylpentane-1,3-diol
PubChem CID160920366
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Name2-methylpropane;2,2,4-trimethylpentane-1,3-diol
SMILESCC(C)C.CC(C)C(O)C(C)(C)CO
InChIInChI=1S/C8H18O2.C4H10/c1-6(2)7(10)8(3,4)5-9;1-4(2)3/h6-7,9-10H,5H2,1-4H3;4H,1-3H3
InChIKeySRYGJGPXOUCJDJ-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2,2,4-trimethylpentane-1,3-diol?
The IUPAC name of 2-methylpropane;2,2,4-trimethylpentane-1,3-diol (CID 160920366) is 2-methylpropane;2,2,4-trimethylpentane-1,3-diol.
What is the SMILES notation for 2-methylpropane;2,2,4-trimethylpentane-1,3-diol?
The canonical SMILES for 2-methylpropane;2,2,4-trimethylpentane-1,3-diol is CC(C)C.CC(C)C(O)C(C)(C)CO.
What is the InChIKey of 2-methylpropane;2,2,4-trimethylpentane-1,3-diol?
The InChIKey is SRYGJGPXOUCJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C4H10/c1-6(2)7(10)8(3,4)5-9;1-4(2)3/h6-7,9-10H,5H2,1-4H3;4H,1-3H3.
What are the key properties of 2-methylpropane;2,2,4-trimethylpentane-1,3-diol?
2-methylpropane;2,2,4-trimethylpentane-1,3-diol has a molecular weight of 204.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;2,2,4-trimethylpentane-1,3-diol is sourced from PubChem (CID 160920366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).