11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene

C20H26 — CID 139655368

IUPAC11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene
SMILESC=C(C)C1CC2CC1C1C3CC(C4C5C=CC(C5)C34)C21
InChIInChI=1S/C20H26/c1-9(2)13-6-12-7-14(13)20-16-8-15(19(12)20)17-10-3-4-11(5-10)18(16)17/h3-4,10-20H,1,5-8H2,2H3
InChIKeyHKXIWGUYIBVGPF-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.54
Rot. Bonds1

About 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene

11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene (PubChem CID 139655368) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene.

Molecular Properties

Compound Name11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene
PubChem CID139655368
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene
SMILESC=C(C)C1CC2CC1C1C3CC(C4C5C=CC(C5)C34)C21
InChIInChI=1S/C20H26/c1-9(2)13-6-12-7-14(13)20-16-8-15(19(12)20)17-10-3-4-11(5-10)18(16)17/h3-4,10-20H,1,5-8H2,2H3
InChIKeyHKXIWGUYIBVGPF-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene with MolForge

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Related Compounds

9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 123420244
(1R,2R,3S,4R,6S,7R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 177458663
4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-enyl acetate
CID 139797076
15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
CID 139711718
methyl (1R,3R,6R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 11183564
hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4,5-diol
CID 139797029
heptacyclo[13.2.2.13,13.16,9.02,14.04,12.05,10]henicos-7-ene
CID 154522326
N,N-diethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
CID 139919678
N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
CID 154076721
(7-acetyloxy-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl) acetate
CID 139797062
propoxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 141353382
[(1R,2R,3S,4R,6R,7S,8R)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
CID 124895627

Frequently Asked Questions

What is the IUPAC name of 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene?
The IUPAC name of 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene (CID 139655368) is 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene.
What is the SMILES notation for 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene?
The canonical SMILES for 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene is C=C(C)C1CC2CC1C1C3CC(C4C5C=CC(C5)C34)C21.
What is the InChIKey of 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene?
The InChIKey is HKXIWGUYIBVGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-9(2)13-6-12-7-14(13)20-16-8-15(19(12)20)17-10-3-4-11(5-10)18(16)17/h3-4,10-20H,1,5-8H2,2H3.
What are the key properties of 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene?
11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene has a molecular weight of 266.43 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene is sourced from PubChem (CID 139655368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).