7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane

C18H28 — CID 163592465

IUPAC7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane
SMILESCCC1C=C1CCC1CCC2(C)C1C1CCC12C
InChIInChI=1S/C18H28/c1-4-12-11-14(12)6-5-13-7-9-18(3)16(13)15-8-10-17(15,18)2/h11-13,15-16H,4-10H2,1-3H3
InChIKeyGQQNIWUXDLUIFT-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.20
Rot. Bonds4

About 7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane

7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane (PubChem CID 163592465) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane.

Molecular Properties

Compound Name7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane
PubChem CID163592465
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane
SMILESCCC1C=C1CCC1CCC2(C)C1C1CCC12C
InChIInChI=1S/C18H28/c1-4-12-11-14(12)6-5-13-7-9-18(3)16(13)15-8-10-17(15,18)2/h11-13,15-16H,4-10H2,1-3H3
InChIKeyGQQNIWUXDLUIFT-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.20
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

(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-5-one
CID 162623235
1-[(1R,3aS,5aR,5bR,11aS,11bR,13aR)-1-butyl-9-ethyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]ethanone;ethane
CID 143534983
6-ethyltricyclo[3.2.1.01,4]oct-6-ene
CID 163586760
(3R,3aR,5aR,5bS,7aS,11aR,11bR,13aR,13bR)-3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CID 124936291
(3R,3aR,5aR,5bR,11aS,13bS)-3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CID 91747701
trans-(1S,5S)-5-(2-hydroxyethyl)-2,2-dimethylcyclopentan-1-ol
CID 131855256
1,3-dihexylcyclopropene
CID 22621674
1,1,3-triethyl-2-methylcyclopentane
CID 123903996
3-ethyl-1,1,2-trimethylcyclopentane
CID 123564312
2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane
CID 123448381
(1R,4aR,5S,8S,8aR)-5-ethyl-3-methylspiro[2,4a,5,6,7,8a-hexahydro-1H-naphthalene-8,2'-oxirane]-1-ol
CID 162850758
[11-(chloromethyl)-9-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CID 162901061

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane?
The IUPAC name of 7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane (CID 163592465) is 7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane.
What is the SMILES notation for 7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane?
The canonical SMILES for 7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane is CCC1C=C1CCC1CCC2(C)C1C1CCC12C.
What is the InChIKey of 7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane?
The InChIKey is GQQNIWUXDLUIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-4-12-11-14(12)6-5-13-7-9-18(3)16(13)15-8-10-17(15,18)2/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of 7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane?
7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane has a molecular weight of 244.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-ethylcyclopropen-1-yl)ethyl]-1,2-dimethyltricyclo[4.3.0.02,5]nonane is sourced from PubChem (CID 163592465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).