3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one

C25H26O — CID 10405132

IUPAC3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one
SMILESO=C1CCC(C23C4C5C6C7C8C9C6C4C4C9C6C8C8C7C5C2C8C6C43)C1
InChIInChI=1S/C25H26O/c26-5-2-1-4(3-5)25-22-16-10-7-6-8-12(10)18(22)20-14(8)15-9(6)13-11(7)17(16)23(25)19(13)21(15)24(20)25/h4,6-24H,1-3H2
InChIKeySJTNANFYJVVYSA-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.20
Rot. Bonds1

About 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one

3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one (PubChem CID 10405132) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one
PubChem CID10405132
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one
SMILESO=C1CCC(C23C4C5C6C7C8C9C6C4C4C9C6C8C8C7C5C2C8C6C43)C1
InChIInChI=1S/C25H26O/c26-5-2-1-4(3-5)25-22-16-10-7-6-8-12(10)18(22)20-14(8)15-9(6)13-11(7)17(16)23(25)19(13)21(15)24(20)25/h4,6-24H,1-3H2
InChIKeySJTNANFYJVVYSA-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one with MolForge

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Related Compounds

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CID 131024388
3-cyclohexylcyclopentan-1-one
CID 11105726
CID 59102215
CID 59102215
(3aR,7aS)-7a-ethyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
CID 102589367
(3-oxocyclopentyl)phosphonic acid
CID 22644556
cis-(3S,4R)-3,4-di(propan-2-yl)cyclohexan-1-one
CID 121421968
ethane;3-methylcyclopentan-1-one
CID 142926670
3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
CID 121217828
(4aS,9aR)-2,3,4a,5,7,8,9,9a-octahydro-1H-benzo[7]annulene-4,6-dione
CID 138606681
2-[(1S)-3-oxocyclopentyl]acetaldehyde
CID 10534670
(3aS,7aS)-7a-methyl-2,3,3a,4,6,7-hexahydro-1-benzothiophen-5-one
CID 102318785

Frequently Asked Questions

What is the IUPAC name of 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one?
The IUPAC name of 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one (CID 10405132) is 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one.
What is the SMILES notation for 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one?
The canonical SMILES for 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one is O=C1CCC(C23C4C5C6C7C8C9C6C4C4C9C6C8C8C7C5C2C8C6C43)C1.
What is the InChIKey of 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one?
The InChIKey is SJTNANFYJVVYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c26-5-2-1-4(3-5)25-22-16-10-7-6-8-12(10)18(22)20-14(8)15-9(6)13-11(7)17(16)23(25)19(13)21(15)24(20)25/h4,6-24H,1-3H2.
What are the key properties of 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one?
3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl)cyclopentan-1-one is sourced from PubChem (CID 10405132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).