(2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene

C22H26O2 — CID 101443306

IUPAC(2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene
SMILESCOc1ccc2cc1CCCCCCc1cc(ccc1OC)/C=C/2
InChIInChI=1S/C22H26O2/c1-23-21-13-11-17-9-10-18-12-14-22(24-2)20(16-18)8-6-4-3-5-7-19(21)15-17/h9-16H,3-8H2,1-2H3/b10-9+
InChIKeyKRGALQQVCVQGCG-MDZDMXLPSA-N
MW322.45 g/mol
LogP5.53
Rot. Bonds2

About (2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene

(2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene (PubChem CID 101443306) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene.

Molecular Properties

Compound Name(2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene
PubChem CID101443306
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name(2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene
SMILESCOc1ccc2cc1CCCCCCc1cc(ccc1OC)/C=C/2
InChIInChI=1S/C22H26O2/c1-23-21-13-11-17-9-10-18-12-14-22(24-2)20(16-18)8-6-4-3-5-7-19(21)15-17/h9-16H,3-8H2,1-2H3/b10-9+
InChIKeyKRGALQQVCVQGCG-MDZDMXLPSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
6,17,23,34-tetramethoxypentacyclo[29.3.1.15,9.114,18.122,26]octatriaconta-1(34),5,7,9(38),14(37),15,17,22,24,26(36),31(35),32-dodecaene
CID 11802005
(2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene
CID 11823446
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
1,4-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline
CID 1473509
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol
CID 84674437
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
CID 170999674
11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene
CID 14737390
16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene
CID 14816261
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84712949

Frequently Asked Questions

What is the IUPAC name of (2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene?
The IUPAC name of (2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene (CID 101443306) is (2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene.
What is the SMILES notation for (2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene?
The canonical SMILES for (2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene is COc1ccc2cc1CCCCCCc1cc(ccc1OC)/C=C/2.
What is the InChIKey of (2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene?
The InChIKey is KRGALQQVCVQGCG-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H26O2/c1-23-21-13-11-17-9-10-18-12-14-22(24-2)20(16-18)8-6-4-3-5-7-19(21)15-17/h9-16H,3-8H2,1-2H3/b10-9+.
What are the key properties of (2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene?
(2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene has a molecular weight of 322.45 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7,16-dimethoxytricyclo[13.3.1.14,8]icosa-1(19),2,4(20),5,7,15,17-heptaene is sourced from PubChem (CID 101443306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).