ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene

C18H20 — CID 142875592

IUPACethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene
SMILESC=C1/C(=C\C)c2ccc(C)c3cccc1c23.CC
InChIInChI=1S/C16H14.C2H6/c1-4-12-11(3)14-7-5-6-13-10(2)8-9-15(12)16(13)14;1-2/h4-9H,3H2,1-2H3;1-2H3/b12-4+;
InChIKeyYSPNDIAOQOQZLS-AQCBZIOHSA-N
MW236.36 g/mol
LogP5.60
Rot. Bonds

About ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene

ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene (PubChem CID 142875592) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene.

Molecular Properties

Compound Nameethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene
PubChem CID142875592
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Nameethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene
SMILESC=C1/C(=C\C)c2ccc(C)c3cccc1c23.CC
InChIInChI=1S/C16H14.C2H6/c1-4-12-11(3)14-7-5-6-13-10(2)8-9-15(12)16(13)14;1-2/h4-9H,3H2,1-2H3;1-2H3/b12-4+;
InChIKeyYSPNDIAOQOQZLS-AQCBZIOHSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-methylacenaphthylene-1,2-dione
CID 13004585
1-aminoethenethiol;bis(3-methylfluoranthene);thiohydroxylamine
CID 143570068
4-methylfluoranthene-8-carbaldehyde
CID 142154566
3-[7-[7-[(2E)-2-[(Z)-but-2-enylidene]-1-methylideneacenaphthylen-5-yl]naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 143808881
3,7,9-trimethylfluoranthene
CID 123365780
15-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 140872789
6-methyl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 59514413
3,4,9-trimethylperylene
CID 59598979
15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 139667404
7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142912
CID 155586253
CID 155586253
1,5-dimethylnaphthalene
CID 162159355

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene?
The IUPAC name of ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene (CID 142875592) is ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene.
What is the SMILES notation for ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene?
The canonical SMILES for ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene is C=C1/C(=C\C)c2ccc(C)c3cccc1c23.CC.
What is the InChIKey of ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene?
The InChIKey is YSPNDIAOQOQZLS-AQCBZIOHSA-N. The full InChI is InChI=1S/C16H14.C2H6/c1-4-12-11(3)14-7-5-6-13-10(2)8-9-15(12)16(13)14;1-2/h4-9H,3H2,1-2H3;1-2H3/b12-4+;.
What are the key properties of ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene?
ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene has a molecular weight of 236.36 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethylidene-5-methyl-1-methylideneacenaphthylene is sourced from PubChem (CID 142875592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).