(6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione

C18H24O4 — CID 134873151

IUPAC(6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione
SMILESO=C1O/C2=C\CCCCCCC3C(=O)O/C3=C\CCCCC12
InChIInChI=1S/C18H24O4/c19-17-13-9-5-2-1-3-7-11-15-14(18(20)21-15)10-6-4-8-12-16(13)22-17/h11-14H,1-10H2/b15-11-,16-12-
InChIKeyIHTAYXADXGCFQD-NFLUSIDLSA-N
MW304.39 g/mol
LogP4.01
Rot. Bonds

About (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione

(6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione (PubChem CID 134873151) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione.

Molecular Properties

Compound Name(6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione
PubChem CID134873151
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name(6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione
SMILESO=C1O/C2=C\CCCCCCC3C(=O)O/C3=C\CCCCC12
InChIInChI=1S/C18H24O4/c19-17-13-9-5-2-1-3-7-11-15-14(18(20)21-15)10-6-4-8-12-16(13)22-17/h11-14H,1-10H2/b15-11-,16-12-
InChIKeyIHTAYXADXGCFQD-NFLUSIDLSA-N
XLogP4.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione with MolForge

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Related Compounds

4-(cyclohepten-1-yl)-6,7,8,8a-tetrahydro-5H-cyclohepta[c]furan-1,3-dione
CID 54481055
3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione
CID 13321638
2,3,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine-1,4-dione
CID 149399042
(1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one
CID 24771963
17-oxabicyclo[14.2.0]octadec-1-en-18-one
CID 91494984
2,3,4,5,6,7,7a,8,9,10-decahydro-1-benzoxonine
CID 134539334
2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 172759847
tricyclo[9.7.0.02,10]octadeca-1(18),2-diene
CID 158410257
3-hydroxy-6a,7,8,9-tetrahydrobenzo[c]chromen-6-one;methanol
CID 164598024
11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride
CID 131871983
2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one
CID 3016281
(1Z)-bicyclo[6.1.0]non-1-ene
CID 5367451

Frequently Asked Questions

What is the IUPAC name of (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione?
The IUPAC name of (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione (CID 134873151) is (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione.
What is the SMILES notation for (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione?
The canonical SMILES for (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione is O=C1O/C2=C\CCCCCCC3C(=O)O/C3=C\CCCCC12.
What is the InChIKey of (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione?
The InChIKey is IHTAYXADXGCFQD-NFLUSIDLSA-N. The full InChI is InChI=1S/C18H24O4/c19-17-13-9-5-2-1-3-7-11-15-14(18(20)21-15)10-6-4-8-12-16(13)22-17/h11-14H,1-10H2/b15-11-,16-12-.
What are the key properties of (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione?
(6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione has a molecular weight of 304.39 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione is sourced from PubChem (CID 134873151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).