2-octylcyclobutan-1-ol

C12H24O — CID 14778658

IUPAC2-octylcyclobutan-1-ol
SMILESCCCCCCCCC1CCC1O
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-11-9-10-12(11)13/h11-13H,2-10H2,1H3
InChIKeyGMTDRTPUILIMRK-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.51
Rot. Bonds7

About 2-octylcyclobutan-1-ol

2-octylcyclobutan-1-ol (PubChem CID 14778658) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-octylcyclobutan-1-ol.

Molecular Properties

Compound Name2-octylcyclobutan-1-ol
PubChem CID14778658
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-octylcyclobutan-1-ol
SMILESCCCCCCCCC1CCC1O
InChIInChI=1S/C12H24O/c1-2-3-4-5-6-7-8-11-9-10-12(11)13/h11-13H,2-10H2,1H3
InChIKeyGMTDRTPUILIMRK-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-octylcyclobutan-1-ol?
The IUPAC name of 2-octylcyclobutan-1-ol (CID 14778658) is 2-octylcyclobutan-1-ol.
What is the SMILES notation for 2-octylcyclobutan-1-ol?
The canonical SMILES for 2-octylcyclobutan-1-ol is CCCCCCCCC1CCC1O.
What is the InChIKey of 2-octylcyclobutan-1-ol?
The InChIKey is GMTDRTPUILIMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-11-9-10-12(11)13/h11-13H,2-10H2,1H3.
What are the key properties of 2-octylcyclobutan-1-ol?
2-octylcyclobutan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylcyclobutan-1-ol is sourced from PubChem (CID 14778658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).