2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane

C18H22 — CID 165026103

IUPAC2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane
SMILESC1=C\C=C/C=C(/C2CCC3CCC32)C/C=C\C=C/1
InChIInChI=1S/C18H22/c1-2-4-6-8-10-15(9-7-5-3-1)17-13-11-16-12-14-18(16)17/h1-9,16-18H,10-14H2/b3-1-,4-2-,7-5-,8-6-,15-9+
InChIKeyLXGFIVCPDDGMMD-VRBSJLRHSA-N
MW238.37 g/mol
LogP4.98
Rot. Bonds1

About 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane

2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane (PubChem CID 165026103) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane
PubChem CID165026103
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane
SMILESC1=C\C=C/C=C(/C2CCC3CCC32)C/C=C\C=C/1
InChIInChI=1S/C18H22/c1-2-4-6-8-10-15(9-7-5-3-1)17-13-11-16-12-14-18(16)17/h1-9,16-18H,10-14H2/b3-1-,4-2-,7-5-,8-6-,15-9+
InChIKeyLXGFIVCPDDGMMD-VRBSJLRHSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane with MolForge

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Related Compounds

(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
CID 102279327
3-cyclopenta-1,3-dien-1-ylbicyclo[3.1.0]hexane
CID 163850420
8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene
CID 174474656
(3S,6S,8S,11S,12S,15R,16S,19S,21R)-8,19-dimethoxypentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene
CID 163080633
4-cyclopenta-1,3-dien-1-ylcyclooctene
CID 163506625
1-cyclohexyl-6-cyclopenta-1,3-dien-1-ylcyclohexene
CID 90750865
cyclohepta-1,3,5-trien-1-ol;ethane
CID 142842150
(2-cyclopenta-1,3-dien-1-ylcyclopentyl)-phenylmethanol
CID 169488214
3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane
CID 70131758
1-propan-2-ylcyclohepta-1,3,5-triene
CID 20800714
N,N-dimethylcyclohepta-1,3,5-trien-1-amine
CID 13380462
(1Z)-3-cyclopenta-1,3-dien-1-ylcyclodecene
CID 163639530

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane?
The IUPAC name of 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane (CID 165026103) is 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane.
What is the SMILES notation for 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane?
The canonical SMILES for 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane is C1=C\C=C/C=C(/C2CCC3CCC32)C/C=C\C=C/1.
What is the InChIKey of 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane?
The InChIKey is LXGFIVCPDDGMMD-VRBSJLRHSA-N. The full InChI is InChI=1S/C18H22/c1-2-4-6-8-10-15(9-7-5-3-1)17-13-11-16-12-14-18(16)17/h1-9,16-18H,10-14H2/b3-1-,4-2-,7-5-,8-6-,15-9+.
What are the key properties of 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane?
2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane has a molecular weight of 238.37 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaen-1-yl]bicyclo[3.2.0]heptane is sourced from PubChem (CID 165026103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).