1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane

C18H26 — CID 90765182

IUPAC1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane
SMILESC1C2CC3CC(C4C5CC6CC(C5)C4C6)(C2)CC13
InChIInChI=1S/C18H26/c1-10-2-13-6-12(1)16(5-10)17(13)18-7-11-3-14(8-18)15(4-11)9-18/h10-17H,1-9H2
InChIKeyPZQDDNMUOLYOMA-UHFFFAOYSA-N
MW242.41 g/mol
LogP4.49
Rot. Bonds1

About 1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane

1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane (PubChem CID 90765182) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Name1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane
PubChem CID90765182
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane
SMILESC1C2CC3CC(C4C5CC6CC(C5)C4C6)(C2)CC13
InChIInChI=1S/C18H26/c1-10-2-13-6-12(1)16(5-10)17(13)18-7-11-3-14(8-18)15(4-11)9-18/h10-17H,1-9H2
InChIKeyPZQDDNMUOLYOMA-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 20706073
Bicyclo[2.2.1]heptane, 1,7-dimethyl-2-[(3-methylbicyclo[2.2.1]hept-2-yl)methyl]-
CID 91996954
3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane
CID 90679571
Octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane
CID 86126159
2,8-Ethanonoradamantane
CID 129695156
2-Methyl-3-norbornylnorbornane
CID 134691351
(1R,4R,5S,6R,7R,9S)-5-[(1S,4S,5R,6S,7S,9R)-5-tetracyclo[5.2.2.01,6.04,9]undecanyl]tetracyclo[5.2.2.01,6.04,9]undecane
CID 139188084
Tetracyclo[5.2.2.01,6.04,9]undecane
CID 155929899
2-(Fench-2-yl)fenchane
CID 557327
Pentacyclo[5.5.0.0(4,11).0(5,9).0(8,12)]dodecane-3-spiro-8'-pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane
CID 91734240
1-(2-Bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
CID 12692414
Heptacyclo[8.8.0.02,12.03,8.04,11.05,9.013,18]octadecane
CID 13329065

Frequently Asked Questions

What is the IUPAC name of 1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane?
The IUPAC name of 1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane (CID 90765182) is 1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for 1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane?
The canonical SMILES for 1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane is C1C2CC3CC(C4C5CC6CC(C5)C4C6)(C2)CC13.
What is the InChIKey of 1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane?
The InChIKey is PZQDDNMUOLYOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-10-2-13-6-12(1)16(5-10)17(13)18-7-11-3-14(8-18)15(4-11)9-18/h10-17H,1-9H2.
What are the key properties of 1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane?
1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane has a molecular weight of 242.41 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 90765182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).