3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene

C22H14O — CID 10756209

IUPAC3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene
SMILESC1=CC2Oc3c(cc4c5c(cccc35)-c3ccccc3-4)C2C=C1
InChIInChI=1S/C22H14O/c1-2-7-14-13(6-1)16-9-5-10-17-21(16)18(14)12-19-15-8-3-4-11-20(15)23-22(17)19/h1-12,15,20H
InChIKeyKOMUHXMORAKFLO-UHFFFAOYSA-N
MW294.35 g/mol
LogP5.46
Rot. Bonds

About 3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene

3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene (PubChem CID 10756209) has the molecular formula C22H14O and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene.

Molecular Properties

Compound Name3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene
PubChem CID10756209
Molecular FormulaC22H14O
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC Name3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene
SMILESC1=CC2Oc3c(cc4c5c(cccc35)-c3ccccc3-4)C2C=C1
InChIInChI=1S/C22H14O/c1-2-7-14-13(6-1)16-9-5-10-17-21(16)18(14)12-19-15-8-3-4-11-20(15)23-22(17)19/h1-12,15,20H
InChIKeyKOMUHXMORAKFLO-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.35
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole
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5-[N-(5a,9a-dihydrodibenzofuran-4-yl)-2-phenylanilino]-2-[4-(N-phenylanilino)naphthalen-1-yl]phenol
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Frequently Asked Questions

What is the IUPAC name of 3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene?
The IUPAC name of 3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene (CID 10756209) is 3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene.
What is the SMILES notation for 3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene?
The canonical SMILES for 3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene is C1=CC2Oc3c(cc4c5c(cccc35)-c3ccccc3-4)C2C=C1.
What is the InChIKey of 3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene?
The InChIKey is KOMUHXMORAKFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O/c1-2-7-14-13(6-1)16-9-5-10-17-21(16)18(14)12-19-15-8-3-4-11-20(15)23-22(17)19/h1-12,15,20H.
What are the key properties of 3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene?
3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene has a molecular weight of 294.35 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene is sourced from PubChem (CID 10756209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).