ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene

C19H22 — CID 156719082

IUPACethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene
SMILESCC.CC1Cc2ccccc2/C=C\c2ccccc21
InChIInChI=1S/C17H16.C2H6/c1-13-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(13)15;1-2/h2-11,13H,12H2,1H3;1-2H3/b11-10-;
InChIKeyKEDYQADIJCPEAU-GMFCBQQYSA-N
MW250.39 g/mol
LogP5.54
Rot. Bonds

About ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene

ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene (PubChem CID 156719082) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene.

Molecular Properties

Compound Nameethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene
PubChem CID156719082
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Nameethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene
SMILESCC.CC1Cc2ccccc2/C=C\c2ccccc21
InChIInChI=1S/C17H16.C2H6/c1-13-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(13)15;1-2/h2-11,13H,12H2,1H3;1-2H3/b11-10-;
InChIKeyKEDYQADIJCPEAU-GMFCBQQYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.39
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene with MolForge

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Related Compounds

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CID 144657359
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CID 121008714
4,9-dimethyl-4,5,9,10-tetrahydropyrene
CID 162152036
ethane;5-methyl-5,6-dihydrobenzo[b][1]benzothiepine
CID 90870918
(5Z)-10-methyl-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 102399730
8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene
CID 54053065
(2R)-1,2-dihydronaphthalen-2-ol
CID 12963098
(2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 162529967
2-(1,2-dihydronaphthalen-2-yl)-1,2-dihydronaphthalene
CID 71322997
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene
CID 10704860
5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine
CID 170259427

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene?
The IUPAC name of ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene (CID 156719082) is ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene.
What is the SMILES notation for ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene?
The canonical SMILES for ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene is CC.CC1Cc2ccccc2/C=C\c2ccccc21.
What is the InChIKey of ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene?
The InChIKey is KEDYQADIJCPEAU-GMFCBQQYSA-N. The full InChI is InChI=1S/C17H16.C2H6/c1-13-12-16-8-3-2-6-14(16)10-11-15-7-4-5-9-17(13)15;1-2/h2-11,13H,12H2,1H3;1-2H3/b11-10-;.
What are the key properties of ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene?
ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene has a molecular weight of 250.39 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene is sourced from PubChem (CID 156719082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).