5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan

C26H36O — CID 90994729

IUPAC5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan
SMILESCCC1C=CC(C=CC2CCC(CC3=CCCC4OCCC4=C3)CC2)=CC1
InChIInChI=1S/C26H36O/c1-2-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)18-24-4-3-5-26-25(19-24)16-17-27-26/h4,6,8-11,19-20,22-23,26H,2-3,5,7,12-18H2,1H3
InChIKeyPYFCAYULUJQVAS-UHFFFAOYSA-N
MW364.57 g/mol
LogP7.09
Rot. Bonds5

About 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan

5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan (PubChem CID 90994729) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan.

Molecular Properties

Compound Name5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan
PubChem CID90994729
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Name5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan
SMILESCCC1C=CC(C=CC2CCC(CC3=CCCC4OCCC4=C3)CC2)=CC1
InChIInChI=1S/C26H36O/c1-2-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)18-24-4-3-5-26-25(19-24)16-17-27-26/h4,6,8-11,19-20,22-23,26H,2-3,5,7,12-18H2,1H3
InChIKeyPYFCAYULUJQVAS-UHFFFAOYSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan with MolForge

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Related Compounds

(4aS,7R,8aR)-3-ethenyl-4,7-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-chromene
CID 44433591
(3S,5S)-5-ethenyl-2-[(4R)-4-fluorocyclohexen-1-yl]-1-methyl-3-propan-2-yloxycyclohexene
CID 118018328
1-Fluoro-5-methyl-6-octan-2-yloxy-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 144163681
1-[(2E,4E)-octa-2,4-dienoxy]-4-(4-propylcyclohexyl)cyclohexane
CID 18689053
1-heptyl-4-[4-[(2E,4E)-octa-2,4-dienoxy]cyclohexyl]cyclohexane
CID 18689101
1-[(2E,4E)-octa-2,4-dienoxy]-4-(4-pentylcyclohexyl)cyclohexane
CID 18689106
8-Oxatetracyclo[7.5.0.02,7.012,14]tetradeca-3,5,10,12(14)-tetraene
CID 22633676
1-Octa-2,4-dienoxy-4-(4-pentylcyclohexyl)cyclohexane
CID 54138349
1-Heptyl-4-(4-octa-2,4-dienoxycyclohexyl)cyclohexane
CID 54221927
1-Octa-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane
CID 54544947
2-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-5-propyloxolane
CID 58555720
2-[(E)-2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]-5-propyloxolane
CID 58555863

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan?
The IUPAC name of 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan (CID 90994729) is 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan.
What is the SMILES notation for 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan?
The canonical SMILES for 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan is CCC1C=CC(C=CC2CCC(CC3=CCCC4OCCC4=C3)CC2)=CC1.
What is the InChIKey of 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan?
The InChIKey is PYFCAYULUJQVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O/c1-2-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)18-24-4-3-5-26-25(19-24)16-17-27-26/h4,6,8-11,19-20,22-23,26H,2-3,5,7,12-18H2,1H3.
What are the key properties of 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan?
5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan has a molecular weight of 364.57 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-ethylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexyl]methyl]-3,7,8,8a-tetrahydro-2H-cyclohepta[b]furan is sourced from PubChem (CID 90994729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).