3,3,5,5,7-pentamethyloctan-1-ol

C13H28O — CID 121365228

IUPAC3,3,5,5,7-pentamethyloctan-1-ol
SMILESCC(C)CC(C)(C)CC(C)(C)CCO
InChIInChI=1S/C13H28O/c1-11(2)9-13(5,6)10-12(3,4)7-8-14/h11,14H,7-10H2,1-6H3
InChIKeyYTPMXNCXLQYRPN-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.86
Rot. Bonds6

About 3,3,5,5,7-pentamethyloctan-1-ol

3,3,5,5,7-pentamethyloctan-1-ol (PubChem CID 121365228) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 3,3,5,5,7-pentamethyloctan-1-ol.

Molecular Properties

Compound Name3,3,5,5,7-pentamethyloctan-1-ol
PubChem CID121365228
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name3,3,5,5,7-pentamethyloctan-1-ol
SMILESCC(C)CC(C)(C)CC(C)(C)CCO
InChIInChI=1S/C13H28O/c1-11(2)9-13(5,6)10-12(3,4)7-8-14/h11,14H,7-10H2,1-6H3
InChIKeyYTPMXNCXLQYRPN-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5,7-pentamethyloctan-1-ol?
The IUPAC name of 3,3,5,5,7-pentamethyloctan-1-ol (CID 121365228) is 3,3,5,5,7-pentamethyloctan-1-ol.
What is the SMILES notation for 3,3,5,5,7-pentamethyloctan-1-ol?
The canonical SMILES for 3,3,5,5,7-pentamethyloctan-1-ol is CC(C)CC(C)(C)CC(C)(C)CCO.
What is the InChIKey of 3,3,5,5,7-pentamethyloctan-1-ol?
The InChIKey is YTPMXNCXLQYRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-11(2)9-13(5,6)10-12(3,4)7-8-14/h11,14H,7-10H2,1-6H3.
What are the key properties of 3,3,5,5,7-pentamethyloctan-1-ol?
3,3,5,5,7-pentamethyloctan-1-ol has a molecular weight of 200.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,7-pentamethyloctan-1-ol is sourced from PubChem (CID 121365228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).