6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane

C25H38 — CID 144918354

IUPAC6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane
SMILESC.C=Cc1cc2cc3c(cc2cc1C=C)=CCCC=3.CC.CC.CC
InChIInChI=1S/C18H16.3C2H6.CH4/c1-3-13-9-17-11-15-7-5-6-8-16(15)12-18(17)10-14(13)4-2;3*1-2;/h3-4,7-12H,1-2,5-6H2;3*1-2H3;1H4
InChIKeyJYZJAYPZYJQMQE-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.20
Rot. Bonds2

About 6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane

6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane (PubChem CID 144918354) has the molecular formula C25H38 and a molecular weight of 338.58 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane.

Molecular Properties

Compound Name6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane
PubChem CID144918354
Molecular FormulaC25H38
Molecular Weight338.58 g/mol
Exact Mass338.30
IUPAC Name6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane
SMILESC.C=Cc1cc2cc3c(cc2cc1C=C)=CCCC=3.CC.CC.CC
InChIInChI=1S/C18H16.3C2H6.CH4/c1-3-13-9-17-11-15-7-5-6-8-16(15)12-18(17)10-14(13)4-2;3*1-2;/h3-4,7-12H,1-2,5-6H2;3*1-2H3;1H4
InChIKeyJYZJAYPZYJQMQE-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane?
The IUPAC name of 6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane (CID 144918354) is 6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane.
What is the SMILES notation for 6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane?
The canonical SMILES for 6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane is C.C=Cc1cc2cc3c(cc2cc1C=C)=CCCC=3.CC.CC.CC.
What is the InChIKey of 6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane?
The InChIKey is JYZJAYPZYJQMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.3C2H6.CH4/c1-3-13-9-17-11-15-7-5-6-8-16(15)12-18(17)10-14(13)4-2;3*1-2;/h3-4,7-12H,1-2,5-6H2;3*1-2H3;1H4.
What are the key properties of 6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane?
6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane has a molecular weight of 338.58 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(ethenyl)-2,3-dihydroanthracene;ethane;methane is sourced from PubChem (CID 144918354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).