(2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene

C19H20 — CID 162529967

IUPAC(2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
SMILESCCC1CCc2ccccc2/C=C\c2ccccc21
InChIInChI=1S/C19H20/c1-2-15-11-12-16-7-3-4-8-17(16)13-14-18-9-5-6-10-19(15)18/h3-10,13-15H,2,11-12H2,1H3/b14-13-
InChIKeyQRHVNSKCJXBGSS-YPKPFQOOSA-N
MW248.37 g/mol
LogP5.30
Rot. Bonds1

About (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene

(2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene (PubChem CID 162529967) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene.

Molecular Properties

Compound Name(2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
PubChem CID162529967
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name(2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
SMILESCCC1CCc2ccccc2/C=C\c2ccccc21
InChIInChI=1S/C19H20/c1-2-15-11-12-16-7-3-4-8-17(16)13-14-18-9-5-6-10-19(15)18/h3-10,13-15H,2,11-12H2,1H3/b14-13-
InChIKeyQRHVNSKCJXBGSS-YPKPFQOOSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene with MolForge

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Related Compounds

1-ethyl-2,3-dihydro-1H-indene
CID 20971
ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 67954177
(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 145199366
ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene
CID 156719082
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine
CID 124705366
(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
CID 155718281
7-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59145627
5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 66614248
(1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11412678
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942

Frequently Asked Questions

What is the IUPAC name of (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene?
The IUPAC name of (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene (CID 162529967) is (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene.
What is the SMILES notation for (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene?
The canonical SMILES for (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene is CCC1CCc2ccccc2/C=C\c2ccccc21.
What is the InChIKey of (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene?
The InChIKey is QRHVNSKCJXBGSS-YPKPFQOOSA-N. The full InChI is InChI=1S/C19H20/c1-2-15-11-12-16-7-3-4-8-17(16)13-14-18-9-5-6-10-19(15)18/h3-10,13-15H,2,11-12H2,1H3/b14-13-.
What are the key properties of (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene?
(2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene has a molecular weight of 248.37 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene is sourced from PubChem (CID 162529967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).