3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene

C20H18O2 — CID 101462023

IUPAC3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene
SMILESCOc1c2c3ccc(c2c(OC)c2c4ccc(c12)CC4)CC3
InChIInChI=1S/C20H18O2/c1-21-19-15-11-3-7-13(8-4-11)17(15)20(22-2)18-14-9-5-12(6-10-14)16(18)19/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyYNWXWUBDDZUISD-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.21
Rot. Bonds2

About 3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene

3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 101462023) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID101462023
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene
SMILESCOc1c2c3ccc(c2c(OC)c2c4ccc(c12)CC4)CC3
InChIInChI=1S/C20H18O2/c1-21-19-15-11-3-7-13(8-4-11)17(15)20(22-2)18-14-9-5-12(6-10-14)16(18)19/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKeyYNWXWUBDDZUISD-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene
CID 101465646
5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 11488347
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
CID 122402189
6,7-dimethoxy-2,3-dihydroinden-1-one
CID 15292475
9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
CID 59613717
5-methoxypentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene
CID 16658388
16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene
CID 14816261
11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene
CID 14737390
6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 15474853
5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 15073818
23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene
CID 102091436
4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane
CID 145190891

Frequently Asked Questions

What is the IUPAC name of 3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of 3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene (CID 101462023) is 3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for 3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene is COc1c2c3ccc(c2c(OC)c2c4ccc(c12)CC4)CC3.
What is the InChIKey of 3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is YNWXWUBDDZUISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-21-19-15-11-3-7-13(8-4-11)17(15)20(22-2)18-14-9-5-12(6-10-14)16(18)19/h3,5,7,9H,4,6,8,10H2,1-2H3.
What are the key properties of 3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene?
3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 290.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 101462023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).