6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol

C14H22O2 — CID 141330594

IUPAC6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol
SMILESCCCCCCCCC12C=CC=CC1(O)O2
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13,15)16-13/h8-9,11-12,15H,2-7,10H2,1H3
InChIKeyYMYKBSGYABVONR-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.32
Rot. Bonds7

About 6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol

6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol (PubChem CID 141330594) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol.

Molecular Properties

Compound Name6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol
PubChem CID141330594
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol
SMILESCCCCCCCCC12C=CC=CC1(O)O2
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13,15)16-13/h8-9,11-12,15H,2-7,10H2,1H3
InChIKeyYMYKBSGYABVONR-UHFFFAOYSA-N
XLogP3.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-octadecyl-7-thiabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 154087876
1-nonyl-2-octylcyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 174885576
calcium;hydride;6-pentadecyl-7-thiabicyclo[4.1.0]hepta-2,4-dien-1-ol
CID 175207865
2-heptyl-2-octyl-1,3-dioxole
CID 141318565
1-heptadecylcyclopropan-1-ol
CID 2802251
2-heptyl-2,3,3-trimethyloxirane
CID 19373807
3-hexyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928233
N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine
CID 139806688
1,6-dioctadecylcyclohexa-2,4-dien-1-amine
CID 174642981
2,2-bis(2-octylpyrrol-2-yl)ethanol
CID 91409486
bis(4,4-dihexylpyridin-1-amine);octane
CID 175314408
methanol;undecane
CID 161373911

Frequently Asked Questions

What is the IUPAC name of 6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol?
The IUPAC name of 6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol (CID 141330594) is 6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol.
What is the SMILES notation for 6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol?
The canonical SMILES for 6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol is CCCCCCCCC12C=CC=CC1(O)O2.
What is the InChIKey of 6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol?
The InChIKey is YMYKBSGYABVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13,15)16-13/h8-9,11-12,15H,2-7,10H2,1H3.
What are the key properties of 6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol?
6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ol is sourced from PubChem (CID 141330594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).