2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol

C14H28O2 — CID 20612050

IUPAC2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol
SMILESCC1(C)OC(C)(C)C(C)(C)C(C)(O)C1(C)C
InChIInChI=1S/C14H28O2/c1-10(2)12(5,6)16-13(7,8)11(3,4)14(10,9)15/h15H,1-9H3
InChIKeyPZGGIZQYPVFOEY-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds

About 2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol

2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol (PubChem CID 20612050) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol
PubChem CID20612050
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol
SMILESCC1(C)OC(C)(C)C(C)(C)C(C)(O)C1(C)C
InChIInChI=1S/C14H28O2/c1-10(2)12(5,6)16-13(7,8)11(3,4)14(10,9)15/h15H,1-9H3
InChIKeyPZGGIZQYPVFOEY-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol?
The IUPAC name of 2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol (CID 20612050) is 2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol.
What is the SMILES notation for 2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol?
The canonical SMILES for 2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol is CC1(C)OC(C)(C)C(C)(C)C(C)(O)C1(C)C.
What is the InChIKey of 2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol?
The InChIKey is PZGGIZQYPVFOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-10(2)12(5,6)16-13(7,8)11(3,4)14(10,9)15/h15H,1-9H3.
What are the key properties of 2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol?
2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,5,6,6-nonamethyloxan-4-ol is sourced from PubChem (CID 20612050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).