ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene

C19H26 — CID 142216483

IUPACethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene
SMILESC=CC1=C(/C=C\C)CCc2ccccc2C1C.CC
InChIInChI=1S/C17H20.C2H6/c1-4-8-14-11-12-15-9-6-7-10-17(15)13(3)16(14)5-2;1-2/h4-10,13H,2,11-12H2,1,3H3;1-2H3/b8-4-;
InChIKeyDIUQMNBISMWATQ-ZYFYRQFPSA-N
MW254.42 g/mol
LogP5.82
Rot. Bonds2

About ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene

ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene (PubChem CID 142216483) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene.

Molecular Properties

Compound Nameethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene
PubChem CID142216483
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Nameethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene
SMILESC=CC1=C(/C=C\C)CCc2ccccc2C1C.CC
InChIInChI=1S/C17H20.C2H6/c1-4-8-14-11-12-15-9-6-7-10-17(15)13(3)16(14)5-2;1-2/h4-10,13H,2,11-12H2,1,3H3;1-2H3/b8-4-;
InChIKeyDIUQMNBISMWATQ-ZYFYRQFPSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene with MolForge

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Related Compounds

4-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1,5-dihydro-2-benzoxepine
CID 70370119
ethane;3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulen-5-yl]-N-methylpropan-1-amine
CID 143757912
(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene
CID 145347236
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590
(3Z)-3-[6-ethenyl-7-[(Z)-prop-1-enyl]-8,9-dihydrobenzo[7]annulen-5-ylidene]propan-1-amine
CID 143127856
1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 145284483
6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 142258016
ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene
CID 144627075
15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 91599001
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene?
The IUPAC name of ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene (CID 142216483) is ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene.
What is the SMILES notation for ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene?
The canonical SMILES for ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene is C=CC1=C(/C=C\C)CCc2ccccc2C1C.CC.
What is the InChIKey of ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene?
The InChIKey is DIUQMNBISMWATQ-ZYFYRQFPSA-N. The full InChI is InChI=1S/C17H20.C2H6/c1-4-8-14-11-12-15-9-6-7-10-17(15)13(3)16(14)5-2;1-2/h4-10,13H,2,11-12H2,1,3H3;1-2H3/b8-4-;.
What are the key properties of ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene?
ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene has a molecular weight of 254.42 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene is sourced from PubChem (CID 142216483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).