9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane

C20H34 — CID 169052624

IUPAC9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCCCCCC1C(C)C2CC1C1C3CC(CC3CC)C21
InChIInChI=1S/C20H34/c1-4-6-7-8-15-12(3)16-11-18(15)20-17-10-14(19(16)20)9-13(17)5-2/h12-20H,4-11H2,1-3H3
InChIKeyIJBOOSTXIBXUFH-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.77
Rot. Bonds5

About 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane

9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 169052624) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID169052624
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCCCCCC1C(C)C2CC1C1C3CC(CC3CC)C21
InChIInChI=1S/C20H34/c1-4-6-7-8-15-12(3)16-11-18(15)20-17-10-14(19(16)20)9-13(17)5-2/h12-20H,4-11H2,1-3H3
InChIKeyIJBOOSTXIBXUFH-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)butyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 169052626
2-decylbicyclo[1.1.0]butane
CID 123632675
2-butyl-3,4-dimethylbicyclo[3.1.0]hexane
CID 123902108
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid
CID 122451932
1,2-dimethyl-3-pentylcyclopropane
CID 524654
(8R)-4-propyl-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-11-one
CID 146261960
1-ethyl-3-methyl-2-pentylcyclopentane
CID 91079962
1,3-dimethyl-2-pentylcyclobutane
CID 91222798
decyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 91445554
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane
CID 23560999

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane (CID 169052624) is 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane is CCCCCC1C(C)C2CC1C1C3CC(CC3CC)C21.
What is the InChIKey of 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is IJBOOSTXIBXUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-4-6-7-8-15-12(3)16-11-18(15)20-17-10-14(19(16)20)9-13(17)5-2/h12-20H,4-11H2,1-3H3.
What are the key properties of 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane?
9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 274.49 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 169052624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).