15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene

C24H32O — CID 139711718

IUPAC15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
SMILESCCOC1CC2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31
InChIInChI=1S/C24H32O/c1-2-25-18-7-12-6-13(18)22-17-9-16(21(12)22)23-14-8-15(24(17)23)20-11-4-3-10(5-11)19(14)20/h3-4,10-24H,2,5-9H2,1H3
InChIKeyJXVPPWBZDWQMNL-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.63
Rot. Bonds2

About 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene

15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene (PubChem CID 139711718) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene.

Molecular Properties

Compound Name15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
PubChem CID139711718
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
SMILESCCOC1CC2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31
InChIInChI=1S/C24H32O/c1-2-25-18-7-12-6-13(18)22-17-9-16(21(12)22)23-14-8-15(24(17)23)20-11-4-3-10(5-11)19(14)20/h3-4,10-24H,2,5-9H2,1H3
InChIKeyJXVPPWBZDWQMNL-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene with MolForge

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Related Compounds

4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-enyl acetate
CID 139797076
15-methoxy-19-oxaoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
CID 139828951
[(1R,2R,3S,4R,6R,7S,8R)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
CID 124895627
11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene
CID 139655368
3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane
CID 139967498
19-oxaoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-en-15-yl methanesulfonate
CID 139828976
(1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol
CID 131019224
5-ethoxy-8-methyltricyclo[4.3.1.03,10]decane
CID 147357384
6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane
CID 45098405
ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane
CID 154080236
heptacyclo[13.2.2.13,13.16,9.02,14.04,12.05,10]henicos-7-ene
CID 154522326
(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
CID 153454980

Frequently Asked Questions

What is the IUPAC name of 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene?
The IUPAC name of 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene (CID 139711718) is 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene.
What is the SMILES notation for 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene?
The canonical SMILES for 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene is CCOC1CC2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31.
What is the InChIKey of 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene?
The InChIKey is JXVPPWBZDWQMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-2-25-18-7-12-6-13(18)22-17-9-16(21(12)22)23-14-8-15(24(17)23)20-11-4-3-10(5-11)19(14)20/h3-4,10-24H,2,5-9H2,1H3.
What are the key properties of 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene?
15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene has a molecular weight of 336.52 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene is sourced from PubChem (CID 139711718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).