6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

C13H20O — CID 141083507

IUPAC6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESC1=C(C23CCCC2CCO3)CCCC1
InChIInChI=1S/C13H20O/c1-2-5-11(6-3-1)13-9-4-7-12(13)8-10-14-13/h5,12H,1-4,6-10H2
InChIKeyWMWDZGVDQGDNMQ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.45
Rot. Bonds1

About 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (PubChem CID 141083507) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
PubChem CID141083507
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESC1=C(C23CCCC2CCO3)CCCC1
InChIInChI=1S/C13H20O/c1-2-5-11(6-3-1)13-9-4-7-12(13)8-10-14-13/h5,12H,1-4,6-10H2
InChIKeyWMWDZGVDQGDNMQ-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan with MolForge

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Related Compounds

Italicene ether
CID 14105916
Bisabolene oxide
CID 56842615
6,11-oxido-Acor-4-ene
CID 91747164
(-) Italicene ether
CID 91747468
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
10-Epi-italicene ether
CID 91747401
CID 135009286
CID 135009286
15-Oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene
CID 135009287
(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene
CID 135043135
(1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene
CID 135043220
(2S)-2-(cyclohexen-1-yl)-2-methyloxolane
CID 155934127
Tetrahydrofuran, 3-isopropyl-2-(3-methylcyclopent-2-enyl)
CID 527239

Frequently Asked Questions

What is the IUPAC name of 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The IUPAC name of 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (CID 141083507) is 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The canonical SMILES for 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is C1=C(C23CCCC2CCO3)CCCC1.
What is the InChIKey of 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The InChIKey is WMWDZGVDQGDNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-5-11(6-3-1)13-9-4-7-12(13)8-10-14-13/h5,12H,1-4,6-10H2.
What are the key properties of 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan has a molecular weight of 192.30 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 141083507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).