6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane]

C14H22O — CID 123627142

IUPAC6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane]
SMILESC=CC1CCC2CC3(CCCCC3)OC12
InChIInChI=1S/C14H22O/c1-2-11-6-7-12-10-14(15-13(11)12)8-4-3-5-9-14/h2,11-13H,1,3-10H2
InChIKeyQRYHKMSMNXRPFE-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.69
Rot. Bonds1

About 6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane]

6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane] (PubChem CID 123627142) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane].

Molecular Properties

Compound Name6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane]
PubChem CID123627142
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane]
SMILESC=CC1CCC2CC3(CCCCC3)OC12
InChIInChI=1S/C14H22O/c1-2-11-6-7-12-10-14(15-13(11)12)8-4-3-5-9-14/h2,11-13H,1,3-10H2
InChIKeyQRYHKMSMNXRPFE-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane]?
The IUPAC name of 6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane] (CID 123627142) is 6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane].
What is the SMILES notation for 6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane]?
The canonical SMILES for 6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane] is C=CC1CCC2CC3(CCCCC3)OC12.
What is the InChIKey of 6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane]?
The InChIKey is QRYHKMSMNXRPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-2-11-6-7-12-10-14(15-13(11)12)8-4-3-5-9-14/h2,11-13H,1,3-10H2.
What are the key properties of 6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane]?
6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane] has a molecular weight of 206.33 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenylspiro[3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2,1'-cyclohexane] is sourced from PubChem (CID 123627142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).