1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one

C15H20O — CID 12061826

IUPAC1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one
SMILESCC(=O)CC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C15H20O/c1-8(16)4-11-6-12-7-13(11)15-10-3-2-9(5-10)14(12)15/h2-3,9-15H,4-7H2,1H3
InChIKeyDGWIIZPVMJFPDK-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.06
Rot. Bonds2

About 1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one

1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one (PubChem CID 12061826) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one.

Molecular Properties

Compound Name1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one
PubChem CID12061826
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one
SMILESCC(=O)CC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C15H20O/c1-8(16)4-11-6-12-7-13(11)15-10-3-2-9(5-10)14(12)15/h2-3,9-15H,4-7H2,1H3
InChIKeyDGWIIZPVMJFPDK-UHFFFAOYSA-N
XLogP3.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.06
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'}

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Related Compounds

4,7-Methano-1H-inden-1-one, 2,3,3a,4,7,7a-hexahydro-
CID 261675
Dicyclopentadiene ketone
CID 95184
Stk208316
CID 225535
rac-(1R,2S,6R,7S)-tricyclo(5.2.1.0,2,6)dec-8-en-3-one
CID 10855626
rac-(2R,6S)-tricyclo(5.2.1.0,2,6)dec-8-en-3-one
CID 132501551
AG-H-14988
CID 548704
3,3a,4,6,7,7a-hexahydro-4,7-methano-5H-inden-5-one
CID 85784
Cyclopentadiene-quinone (2
CID 2817784
4-Propyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 102024121
(2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one
CID 155930082
(1R,5R,8S,12S)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 134856344
Nonacyclo[13.6.1.14,11.16,9.117,20.02,14.03,12.05,10.016,21]pentacosa-7,18-dien-13-one
CID 370802

Frequently Asked Questions

What is the IUPAC name of 1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one?
The IUPAC name of 1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one (CID 12061826) is 1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one.
What is the SMILES notation for 1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one?
The canonical SMILES for 1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one is CC(=O)CC1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one?
The InChIKey is DGWIIZPVMJFPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-8(16)4-11-6-12-7-13(11)15-10-3-2-9(5-10)14(12)15/h2-3,9-15H,4-7H2,1H3.
What are the key properties of 1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one?
1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one has a molecular weight of 216.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-2-one is sourced from PubChem (CID 12061826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).