8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene

C14H22 — CID 59861025

IUPAC8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene
SMILESCCCC1C(C)C2CC1C1C=CCC12
InChIInChI=1S/C14H22/c1-3-5-10-9(2)13-8-14(10)12-7-4-6-11(12)13/h4,7,9-14H,3,5-6,8H2,1-2H3
InChIKeyPBGZTABSMCMSRI-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.88
Rot. Bonds2

About 8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene

8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 59861025) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene
PubChem CID59861025
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene
SMILESCCCC1C(C)C2CC1C1C=CCC12
InChIInChI=1S/C14H22/c1-3-5-10-9(2)13-8-14(10)12-7-4-6-11(12)13/h4,7,9-14H,3,5-6,8H2,1-2H3
InChIKeyPBGZTABSMCMSRI-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene
CID 22949638
8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene
CID 59653739
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381
[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
CID 15508536
9-butyl-8-(3-ethyl-2-bicyclo[2.2.1]heptanyl)tricyclo[5.2.1.02,6]dec-3-ene
CID 59804621
2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
CID 59917128
4-methyl-3-propylcyclopentene
CID 91050594
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-10-ene
CID 91063776
2,5-dimethyl-3-propylbicyclo[2.2.0]hexane
CID 91214227
2-butyl-3,4-dimethylbicyclo[3.1.0]hexane
CID 123902108
(1S,3R,6S)-pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
CID 169451262
(1R,7S,8R,12S)-3-ethyl-3-aluminatetracyclo[5.5.1.02,6.08,12]tridec-9-ene
CID 177478102

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of 8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene (CID 59861025) is 8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for 8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for 8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene is CCCC1C(C)C2CC1C1C=CCC12.
What is the InChIKey of 8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is PBGZTABSMCMSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-5-10-9(2)13-8-14(10)12-7-4-6-11(12)13/h4,7,9-14H,3,5-6,8H2,1-2H3.
What are the key properties of 8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene?
8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 190.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 59861025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).