7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol

C13H24O2 — CID 57304938

IUPAC7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol
SMILESOCCCCCCCC12CCC(CC1)O2
InChIInChI=1S/C13H24O2/c14-11-5-3-1-2-4-8-13-9-6-12(15-13)7-10-13/h12,14H,1-11H2
InChIKeyWRTSJPZYJPDUGR-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.03
Rot. Bonds7

About 7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol

7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol (PubChem CID 57304938) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol.

Molecular Properties

Compound Name7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol
PubChem CID57304938
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol
SMILESOCCCCCCCC12CCC(CC1)O2
InChIInChI=1S/C13H24O2/c14-11-5-3-1-2-4-8-13-9-6-12(15-13)7-10-13/h12,14H,1-11H2
InChIKeyWRTSJPZYJPDUGR-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol?
The IUPAC name of 7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol (CID 57304938) is 7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol.
What is the SMILES notation for 7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol?
The canonical SMILES for 7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol is OCCCCCCCC12CCC(CC1)O2.
What is the InChIKey of 7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol?
The InChIKey is WRTSJPZYJPDUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c14-11-5-3-1-2-4-8-13-9-6-12(15-13)7-10-13/h12,14H,1-11H2.
What are the key properties of 7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol?
7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-oxabicyclo[2.2.1]heptan-1-yl)heptan-1-ol is sourced from PubChem (CID 57304938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).