(4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one

C21H22O2 — CID 102181930

IUPAC(4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one
SMILESO=C1OC(c2ccccc2)C2=C1/C=C\CC1(/C=C\2)CCCCC1
InChIInChI=1S/C21H22O2/c22-20-18-10-7-14-21(12-5-2-6-13-21)15-11-17(18)19(23-20)16-8-3-1-4-9-16/h1,3-4,7-11,15,19H,2,5-6,12-14H2/b10-7-,15-11-
InChIKeyYZLREWRGPIEMCJ-BCUQMESKSA-N
MW306.41 g/mol
LogP5.05
Rot. Bonds1

About (4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one

(4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one (PubChem CID 102181930) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name(4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one
PubChem CID102181930
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name(4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one
SMILESO=C1OC(c2ccccc2)C2=C1/C=C\CC1(/C=C\2)CCCCC1
InChIInChI=1S/C21H22O2/c22-20-18-10-7-14-21(12-5-2-6-13-21)15-11-17(18)19(23-20)16-8-3-1-4-9-16/h1,3-4,7-11,15,19H,2,5-6,12-14H2/b10-7-,15-11-
InChIKeyYZLREWRGPIEMCJ-BCUQMESKSA-N
XLogP5.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one?
The IUPAC name of (4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one (CID 102181930) is (4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one.
What is the SMILES notation for (4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one?
The canonical SMILES for (4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one is O=C1OC(c2ccccc2)C2=C1/C=C\CC1(/C=C\2)CCCCC1.
What is the InChIKey of (4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one?
The InChIKey is YZLREWRGPIEMCJ-BCUQMESKSA-N. The full InChI is InChI=1S/C21H22O2/c22-20-18-10-7-14-21(12-5-2-6-13-21)15-11-17(18)19(23-20)16-8-3-1-4-9-16/h1,3-4,7-11,15,19H,2,5-6,12-14H2/b10-7-,15-11-.
What are the key properties of (4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one?
(4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one has a molecular weight of 306.41 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-3-phenylspiro[3,7-dihydrocycloocta[c]furan-6,1'-cyclohexane]-1-one is sourced from PubChem (CID 102181930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).