tricyclo[9.7.0.02,10]octadeca-1(18),2-diene

C18H28 — CID 158410257

IUPACtricyclo[9.7.0.02,10]octadeca-1(18),2-diene
SMILESC1=C2C3=CCCCCCCC3C2CCCCCC1
InChIInChI=1S/C18H28/c1-3-7-11-15-16(12-8-4-1)18-14-10-6-2-5-9-13-17(15)18/h11,13,16,18H,1-10,12,14H2
InChIKeyGZFIIMAYLRQKSV-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.79
Rot. Bonds

About tricyclo[9.7.0.02,10]octadeca-1(18),2-diene

tricyclo[9.7.0.02,10]octadeca-1(18),2-diene (PubChem CID 158410257) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is tricyclo[9.7.0.02,10]octadeca-1(18),2-diene.

Molecular Properties

Compound Nametricyclo[9.7.0.02,10]octadeca-1(18),2-diene
PubChem CID158410257
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Nametricyclo[9.7.0.02,10]octadeca-1(18),2-diene
SMILESC1=C2C3=CCCCCCCC3C2CCCCCC1
InChIInChI=1S/C18H28/c1-3-7-11-15-16(12-8-4-1)18-14-10-6-2-5-9-13-17(15)18/h11,13,16,18H,1-10,12,14H2
InChIKeyGZFIIMAYLRQKSV-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
CID 91699542
(1S,3aZ,13aS)-1-methyl-1,2,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3-one
CID 98162399
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
(1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one
CID 24771963
17-oxabicyclo[14.2.0]octadec-1-en-18-one
CID 91494984
(1Z)-bicyclo[6.1.0]non-1-ene
CID 5367451
2,3,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine-1,4-dione
CID 149399042
methyl (1E)-9-[(2E)-2-methoxycarbonylcyclonon-2-en-1-yl]cyclononene-1-carboxylate
CID 102276542
(1E)-1-cyclohexylcyclododecene
CID 139760943
(8R)-1,8-dibromocyclooctene
CID 129408234
(1E)-1-cyclohexylcyclodecene
CID 139760930
1,2,5,6,7,8,9,9a-octahydrocyclopenta[8]annulen-4-one
CID 11073761

Frequently Asked Questions

What is the IUPAC name of tricyclo[9.7.0.02,10]octadeca-1(18),2-diene?
The IUPAC name of tricyclo[9.7.0.02,10]octadeca-1(18),2-diene (CID 158410257) is tricyclo[9.7.0.02,10]octadeca-1(18),2-diene.
What is the SMILES notation for tricyclo[9.7.0.02,10]octadeca-1(18),2-diene?
The canonical SMILES for tricyclo[9.7.0.02,10]octadeca-1(18),2-diene is C1=C2C3=CCCCCCCC3C2CCCCCC1.
What is the InChIKey of tricyclo[9.7.0.02,10]octadeca-1(18),2-diene?
The InChIKey is GZFIIMAYLRQKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-3-7-11-15-16(12-8-4-1)18-14-10-6-2-5-9-13-17(15)18/h11,13,16,18H,1-10,12,14H2.
What are the key properties of tricyclo[9.7.0.02,10]octadeca-1(18),2-diene?
tricyclo[9.7.0.02,10]octadeca-1(18),2-diene has a molecular weight of 244.42 g/mol, XLogP of 5.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.7.0.02,10]octadeca-1(18),2-diene is sourced from PubChem (CID 158410257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).