(5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane

C19H24 — CID 144657359

IUPAC(5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane
SMILESC=CC1=C(\C=C)CC(C)c2ccccc2/C=C\1.CC
InChIInChI=1S/C17H18.C2H6/c1-4-14-10-11-16-8-6-7-9-17(16)13(3)12-15(14)5-2;1-2/h4-11,13H,1-2,12H2,3H3;1-2H3/b11-10-,15-14-;
InChIKeyALHFISIHYIEVSG-XLGGVGEJSA-N
MW252.40 g/mol
LogP5.90
Rot. Bonds2

About (5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane

(5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane (PubChem CID 144657359) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is (5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane.

Molecular Properties

Compound Name(5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane
PubChem CID144657359
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name(5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane
SMILESC=CC1=C(\C=C)CC(C)c2ccccc2/C=C\1.CC
InChIInChI=1S/C17H18.C2H6/c1-4-14-10-11-16-8-6-7-9-17(16)13(3)12-15(14)5-2;1-2/h4-11,13H,1-2,12H2,3H3;1-2H3/b11-10-,15-14-;
InChIKeyALHFISIHYIEVSG-XLGGVGEJSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane?
The IUPAC name of (5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane (CID 144657359) is (5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane.
What is the SMILES notation for (5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane?
The canonical SMILES for (5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane is C=CC1=C(\C=C)CC(C)c2ccccc2/C=C\1.CC.
What is the InChIKey of (5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane?
The InChIKey is ALHFISIHYIEVSG-XLGGVGEJSA-N. The full InChI is InChI=1S/C17H18.C2H6/c1-4-14-10-11-16-8-6-7-9-17(16)13(3)12-15(14)5-2;1-2/h4-11,13H,1-2,12H2,3H3;1-2H3/b11-10-,15-14-;.
What are the key properties of (5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane?
(5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane has a molecular weight of 252.40 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane is sourced from PubChem (CID 144657359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).