(8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane

C22H30 — CID 144857232

IUPAC(8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane
SMILESC=C/C1=C/C(C)C(C)(C)c2ccccc2C=CC1C=C.CC
InChIInChI=1S/C20H24.C2H6/c1-6-16-12-13-18-10-8-9-11-19(18)20(4,5)15(3)14-17(16)7-2;1-2/h6-16H,1-2H2,3-5H3;1-2H3/b13-12?,17-14-;
InChIKeyANMVGQIZIOOBCF-LZOFPATOSA-N
MW294.48 g/mol
LogP6.57
Rot. Bonds2

About (8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane

(8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane (PubChem CID 144857232) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is (8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane.

Molecular Properties

Compound Name(8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane
PubChem CID144857232
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name(8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane
SMILESC=C/C1=C/C(C)C(C)(C)c2ccccc2C=CC1C=C.CC
InChIInChI=1S/C20H24.C2H6/c1-6-16-12-13-18-10-8-9-11-19(18)20(4,5)15(3)14-17(16)7-2;1-2/h6-16H,1-2H2,3-5H3;1-2H3/b13-12?,17-14-;
InChIKeyANMVGQIZIOOBCF-LZOFPATOSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 86754272
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CID 11138116
3,4,4-trimethyl-3H-naphthalen-1-ol
CID 91665401
7b-methyl-1,1a-dihydrocyclopropa[a]naphthalene
CID 142093034
1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]
CID 11624124
(1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol
CID 45091466
2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265
(1-hydroxy-2-methyl-2H-naphthalen-1-yl) acetate
CID 22731584
2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione
CID 90956813
bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
CID 174841145
(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 154303446

Frequently Asked Questions

What is the IUPAC name of (8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane?
The IUPAC name of (8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane (CID 144857232) is (8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane.
What is the SMILES notation for (8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane?
The canonical SMILES for (8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane is C=C/C1=C/C(C)C(C)(C)c2ccccc2C=CC1C=C.CC.
What is the InChIKey of (8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane?
The InChIKey is ANMVGQIZIOOBCF-LZOFPATOSA-N. The full InChI is InChI=1S/C20H24.C2H6/c1-6-16-12-13-18-10-8-9-11-19(18)20(4,5)15(3)14-17(16)7-2;1-2/h6-16H,1-2H2,3-5H3;1-2H3/b13-12?,17-14-;.
What are the key properties of (8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane?
(8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane has a molecular weight of 294.48 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane is sourced from PubChem (CID 144857232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).