7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene

C23H16O — CID 123861336

IUPAC7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene
SMILESCC=Cc1cc2c(ccc3c4cc5ccccc5cc4ccc23)o1
InChIInChI=1S/C23H16O/c1-2-5-18-14-22-20-9-8-17-12-15-6-3-4-7-16(15)13-21(17)19(20)10-11-23(22)24-18/h2-14H,1H3
InChIKeyJAVAKFDHLBNKQQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP6.93
Rot. Bonds1

About 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene

7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene (PubChem CID 123861336) has the molecular formula C23H16O and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene.

Molecular Properties

Compound Name7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene
PubChem CID123861336
Molecular FormulaC23H16O
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene
SMILESCC=Cc1cc2c(ccc3c4cc5ccccc5cc4ccc23)o1
InChIInChI=1S/C23H16O/c1-2-5-18-14-22-20-9-8-17-12-15-6-3-4-7-16(15)13-21(17)19(20)10-11-23(22)24-18/h2-14H,1H3
InChIKeyJAVAKFDHLBNKQQ-UHFFFAOYSA-N
XLogP6.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene with MolForge

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Related Compounds

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1-prop-1-enylanthracen-2-ol
CID 88685593
3,4-dimethylbenzo[a]anthracene
CID 154377924
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
7-fluoro-8-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),6,11,13,15,17,19-decaene
CID 89117128
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CID 59805099

Frequently Asked Questions

What is the IUPAC name of 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene?
The IUPAC name of 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene (CID 123861336) is 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene.
What is the SMILES notation for 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene?
The canonical SMILES for 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene is CC=Cc1cc2c(ccc3c4cc5ccccc5cc4ccc23)o1.
What is the InChIKey of 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene?
The InChIKey is JAVAKFDHLBNKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O/c1-2-5-18-14-22-20-9-8-17-12-15-6-3-4-7-16(15)13-21(17)19(20)10-11-23(22)24-18/h2-14H,1H3.
What are the key properties of 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene?
7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene has a molecular weight of 308.38 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-1-enyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene is sourced from PubChem (CID 123861336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).