(7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene

C17H18O — CID 170701012

IUPAC(7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene
SMILESC=CC1=C(\C=C)C(OC)Cc2ccccc2/C=C\1
InChIInChI=1S/C17H18O/c1-4-13-10-11-14-8-6-7-9-15(14)12-17(18-3)16(13)5-2/h4-11,17H,1-2,12H2,3H3/b11-10-,16-13-
InChIKeyORFKTIJONBJQRP-GDJGEBBSSA-N
MW238.33 g/mol
LogP3.94
Rot. Bonds3

About (7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene

(7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene (PubChem CID 170701012) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene.

Molecular Properties

Compound Name(7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene
PubChem CID170701012
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene
SMILESC=CC1=C(\C=C)C(OC)Cc2ccccc2/C=C\1
InChIInChI=1S/C17H18O/c1-4-13-10-11-14-8-6-7-9-15(14)12-17(18-3)16(13)5-2/h4-11,17H,1-2,12H2,3H3/b11-10-,16-13-
InChIKeyORFKTIJONBJQRP-GDJGEBBSSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 121011407
ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine
CID 143757893
(5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane
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CID 156719082
2-(1,2-dihydronaphthalen-2-yl)-1,2-dihydronaphthalene
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bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
CID 174841145
(E)-3-(1,3-dimethoxy-3,4-dihydronaphthalen-2-yl)prop-2-enoic acid
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2-methoxy-1,2-dihydrocyclobuta[b]naphthalene
CID 135298847
8-methoxy-2-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 105429225
1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine
CID 146385208
(2R)-1,2-dihydronaphthalen-2-ol
CID 12963098

Frequently Asked Questions

What is the IUPAC name of (7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene?
The IUPAC name of (7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene (CID 170701012) is (7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene.
What is the SMILES notation for (7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene?
The canonical SMILES for (7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene is C=CC1=C(\C=C)C(OC)Cc2ccccc2/C=C\1.
What is the InChIKey of (7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene?
The InChIKey is ORFKTIJONBJQRP-GDJGEBBSSA-N. The full InChI is InChI=1S/C17H18O/c1-4-13-10-11-14-8-6-7-9-15(14)12-17(18-3)16(13)5-2/h4-11,17H,1-2,12H2,3H3/b11-10-,16-13-.
What are the key properties of (7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene?
(7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene has a molecular weight of 238.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene is sourced from PubChem (CID 170701012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).