6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

C13H22O — CID 141083523

IUPAC6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCCCCC=CC12CCCC1CCO2
InChIInChI=1S/C13H22O/c1-2-3-4-5-9-13-10-6-7-12(13)8-11-14-13/h5,9,12H,2-4,6-8,10-11H2,1H3
InChIKeyCISGIWQGOOSSJY-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds4

About 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (PubChem CID 141083523) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
PubChem CID141083523
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCCCCC=CC12CCCC1CCO2
InChIInChI=1S/C13H22O/c1-2-3-4-5-9-13-10-6-7-12(13)8-11-14-13/h5,9,12H,2-4,6-8,10-11H2,1H3
InChIKeyCISGIWQGOOSSJY-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan with MolForge

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Related Compounds

7-But-3-enyl-7-prop-2-enoxybicyclo[2.2.1]hept-2-ene
CID 72956401
(5R,6R,7R)-6,7-dimethyl-1-oxaspiro[4.5]dec-9-ene
CID 135022914
(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene
CID 135043135
10-Oxatricyclo[4.2.1.1(3,9)]dec-4-ene, 9-ethenyl-
CID 556514
5-Butyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 20649962
3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
CID 54070810
4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
CID 54238174
4-(2-Methylpropoxy)-1,2,3,3a,4,6a-hexahydropentalene
CID 68725670
6a-(1-Methoxycyclohex-2-en-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 69012866
2-Methyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 117606396
2-Prop-1-enyl-10-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 123977964
(5E)-1-[(2-methylpropan-2-yl)oxy]tricyclo[8.2.1.02,9]trideca-5,11-diene
CID 134331547

Frequently Asked Questions

What is the IUPAC name of 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The IUPAC name of 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (CID 141083523) is 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The canonical SMILES for 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is CCCCC=CC12CCCC1CCO2.
What is the InChIKey of 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The InChIKey is CISGIWQGOOSSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-3-4-5-9-13-10-6-7-12(13)8-11-14-13/h5,9,12H,2-4,6-8,10-11H2,1H3.
What are the key properties of 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan has a molecular weight of 194.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 141083523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).