ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene

C17H22 — CID 144619160

IUPACethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene
SMILESC=C1/C=C\C=C/CCc2ccccc2C1.CC
InChIInChI=1S/C15H16.C2H6/c1-13-8-4-2-3-5-9-14-10-6-7-11-15(14)12-13;1-2/h2-4,6-8,10-11H,1,5,9,12H2;1-2H3/b3-2-,8-4-;
InChIKeyAOIZMMPCWXHLNW-YEKVNHEPSA-N
MW226.36 g/mol
LogP4.87
Rot. Bonds

About ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene

ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene (PubChem CID 144619160) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene.

Molecular Properties

Compound Nameethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene
PubChem CID144619160
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Nameethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene
SMILESC=C1/C=C\C=C/CCc2ccccc2C1.CC
InChIInChI=1S/C15H16.C2H6/c1-13-8-4-2-3-5-9-14-10-6-7-11-15(14)12-13;1-2/h2-4,6-8,10-11H,1,5,9,12H2;1-2H3/b3-2-,8-4-;
InChIKeyAOIZMMPCWXHLNW-YEKVNHEPSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene?
The IUPAC name of ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene (CID 144619160) is ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene.
What is the SMILES notation for ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene?
The canonical SMILES for ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene is C=C1/C=C\C=C/CCc2ccccc2C1.CC.
What is the InChIKey of ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene?
The InChIKey is AOIZMMPCWXHLNW-YEKVNHEPSA-N. The full InChI is InChI=1S/C15H16.C2H6/c1-13-8-4-2-3-5-9-14-10-6-7-11-15(14)12-13;1-2/h2-4,6-8,10-11H,1,5,9,12H2;1-2H3/b3-2-,8-4-;.
What are the key properties of ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene?
ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene has a molecular weight of 226.36 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene is sourced from PubChem (CID 144619160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).