2-butyl-2-(hydroxymethyl)cyclooctan-1-ol

C13H26O2 — CID 139913828

IUPAC2-butyl-2-(hydroxymethyl)cyclooctan-1-ol
SMILESCCCCC1(CO)CCCCCCC1O
InChIInChI=1S/C13H26O2/c1-2-3-9-13(11-14)10-7-5-4-6-8-12(13)15/h12,14-15H,2-11H2,1H3
InChIKeyLYDZBJNYMMBQPY-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.87
Rot. Bonds4

About 2-butyl-2-(hydroxymethyl)cyclooctan-1-ol

2-butyl-2-(hydroxymethyl)cyclooctan-1-ol (PubChem CID 139913828) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-butyl-2-(hydroxymethyl)cyclooctan-1-ol.

Molecular Properties

Compound Name2-butyl-2-(hydroxymethyl)cyclooctan-1-ol
PubChem CID139913828
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-butyl-2-(hydroxymethyl)cyclooctan-1-ol
SMILESCCCCC1(CO)CCCCCCC1O
InChIInChI=1S/C13H26O2/c1-2-3-9-13(11-14)10-7-5-4-6-8-12(13)15/h12,14-15H,2-11H2,1H3
InChIKeyLYDZBJNYMMBQPY-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(hydroxymethyl)cyclooctan-1-ol?
The IUPAC name of 2-butyl-2-(hydroxymethyl)cyclooctan-1-ol (CID 139913828) is 2-butyl-2-(hydroxymethyl)cyclooctan-1-ol.
What is the SMILES notation for 2-butyl-2-(hydroxymethyl)cyclooctan-1-ol?
The canonical SMILES for 2-butyl-2-(hydroxymethyl)cyclooctan-1-ol is CCCCC1(CO)CCCCCCC1O.
What is the InChIKey of 2-butyl-2-(hydroxymethyl)cyclooctan-1-ol?
The InChIKey is LYDZBJNYMMBQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-2-3-9-13(11-14)10-7-5-4-6-8-12(13)15/h12,14-15H,2-11H2,1H3.
What are the key properties of 2-butyl-2-(hydroxymethyl)cyclooctan-1-ol?
2-butyl-2-(hydroxymethyl)cyclooctan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(hydroxymethyl)cyclooctan-1-ol is sourced from PubChem (CID 139913828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).