(14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene

C24H16O2 — CID 163162110

IUPAC(14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene
SMILESC1=C2c3ccc4ccccc4c3OC[C@H]2Oc2ccc3ccccc3c21
InChIInChI=1S/C24H16O2/c1-3-7-17-15(5-1)10-12-22-20(17)13-21-19-11-9-16-6-2-4-8-18(16)24(19)25-14-23(21)26-22/h1-13,23H,14H2/t23-/m1/s1
InChIKeyRIXYWKOPWKUPCC-HSZRJFAPSA-N
MW336.39 g/mol
LogP5.69
Rot. Bonds

About (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene

(14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene (PubChem CID 163162110) has the molecular formula C24H16O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene.

Molecular Properties

Compound Name(14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene
PubChem CID163162110
Molecular FormulaC24H16O2
Molecular Weight336.39 g/mol
Exact Mass336.12
IUPAC Name(14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene
SMILESC1=C2c3ccc4ccccc4c3OC[C@H]2Oc2ccc3ccccc3c21
InChIInChI=1S/C24H16O2/c1-3-7-17-15(5-1)10-12-22-20(17)13-21-19-11-9-16-6-2-4-8-18(16)24(19)25-14-23(21)26-22/h1-13,23H,14H2/t23-/m1/s1
InChIKeyRIXYWKOPWKUPCC-HSZRJFAPSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene with MolForge

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Related Compounds

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CID 11896403
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CID 58795481
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4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol
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12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaen-14-amine
CID 139362841
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Frequently Asked Questions

What is the IUPAC name of (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene?
The IUPAC name of (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene (CID 163162110) is (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene.
What is the SMILES notation for (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene?
The canonical SMILES for (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene is C1=C2c3ccc4ccccc4c3OC[C@H]2Oc2ccc3ccccc3c21.
What is the InChIKey of (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene?
The InChIKey is RIXYWKOPWKUPCC-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H16O2/c1-3-7-17-15(5-1)10-12-22-20(17)13-21-19-11-9-16-6-2-4-8-18(16)24(19)25-14-23(21)26-22/h1-13,23H,14H2/t23-/m1/s1.
What are the key properties of (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene?
(14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene has a molecular weight of 336.39 g/mol, XLogP of 5.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (14S)-12,15-dioxahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-1(26),2(11),3,5,7,9,16(25),17,19,21,23-undecaene is sourced from PubChem (CID 163162110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).