1-tert-butylcyclooctan-1-ol

C12H24O — CID 12697683

IUPAC1-tert-butylcyclooctan-1-ol
SMILESCC(C)(C)C1(O)CCCCCCC1
InChIInChI=1S/C12H24O/c1-11(2,3)12(13)9-7-5-4-6-8-10-12/h13H,4-10H2,1-3H3
InChIKeyYVDONEGTZFFDQN-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.51
Rot. Bonds

About 1-tert-butylcyclooctan-1-ol

1-tert-butylcyclooctan-1-ol (PubChem CID 12697683) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-tert-butylcyclooctan-1-ol.

Molecular Properties

Compound Name1-tert-butylcyclooctan-1-ol
PubChem CID12697683
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-tert-butylcyclooctan-1-ol
SMILESCC(C)(C)C1(O)CCCCCCC1
InChIInChI=1S/C12H24O/c1-11(2,3)12(13)9-7-5-4-6-8-10-12/h13H,4-10H2,1-3H3
InChIKeyYVDONEGTZFFDQN-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-tert-butylcyclooctan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclooctan-1-ol?
The IUPAC name of 1-tert-butylcyclooctan-1-ol (CID 12697683) is 1-tert-butylcyclooctan-1-ol.
What is the SMILES notation for 1-tert-butylcyclooctan-1-ol?
The canonical SMILES for 1-tert-butylcyclooctan-1-ol is CC(C)(C)C1(O)CCCCCCC1.
What is the InChIKey of 1-tert-butylcyclooctan-1-ol?
The InChIKey is YVDONEGTZFFDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-11(2,3)12(13)9-7-5-4-6-8-10-12/h13H,4-10H2,1-3H3.
What are the key properties of 1-tert-butylcyclooctan-1-ol?
1-tert-butylcyclooctan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclooctan-1-ol is sourced from PubChem (CID 12697683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).