hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one

C23H12O — CID 87350060

IUPAChexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one
SMILESO=c1c2c(c3cccc4c3=c1c1ccccc14)-c1ccccc1C=2
InChIInChI=1S/C23H12O/c24-23-19-12-13-6-1-2-7-14(13)20(19)18-11-5-10-16-15-8-3-4-9-17(15)22(23)21(16)18/h1-12H
InChIKeyXSUICXVUPVHMEZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.04
Rot. Bonds

About hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one

hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one (PubChem CID 87350060) has the molecular formula C23H12O and a molecular weight of 304.35 g/mol. Its IUPAC name is hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one.

Molecular Properties

Compound Namehexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one
PubChem CID87350060
Molecular FormulaC23H12O
Molecular Weight304.35 g/mol
Exact Mass304.09
IUPAC Namehexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one
SMILESO=c1c2c(c3cccc4c3=c1c1ccccc14)-c1ccccc1C=2
InChIInChI=1S/C23H12O/c24-23-19-12-13-6-1-2-7-14(13)20(19)18-11-5-10-16-15-8-3-4-9-17(15)22(23)21(16)18/h1-12H
InChIKeyXSUICXVUPVHMEZ-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one with MolForge

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Related Compounds

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CID 151156458
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Frequently Asked Questions

What is the IUPAC name of hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one?
The IUPAC name of hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one (CID 87350060) is hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one.
What is the SMILES notation for hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one?
The canonical SMILES for hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one is O=c1c2c(c3cccc4c3=c1c1ccccc14)-c1ccccc1C=2.
What is the InChIKey of hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one?
The InChIKey is XSUICXVUPVHMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12O/c24-23-19-12-13-6-1-2-7-14(13)20(19)18-11-5-10-16-15-8-3-4-9-17(15)22(23)21(16)18/h1-12H.
What are the key properties of hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one?
hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one has a molecular weight of 304.35 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one is sourced from PubChem (CID 87350060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).