(2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane

C21H34 — CID 162302289

IUPAC(2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
SMILESC=C1C2C(C)C(CC)CC2C2C[C@H]3CCCC[C@H]3[C@@H](C)C12
InChIInChI=1S/C21H34/c1-5-15-10-18-19-11-16-8-6-7-9-17(16)13(3)21(19)14(4)20(18)12(15)2/h12-13,15-21H,4-11H2,1-3H3/t12?,13-,15?,16-,17+,18?,19?,20?,21?/m1/s1
InChIKeyMZHCEUSWBIQBDA-QTXZDULDSA-N
MW286.50 g/mol
LogP5.93
Rot. Bonds1

About (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane

(2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane (PubChem CID 162302289) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane.

Molecular Properties

Compound Name(2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
PubChem CID162302289
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name(2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
SMILESC=C1C2C(C)C(CC)CC2C2C[C@H]3CCCC[C@H]3[C@@H](C)C12
InChIInChI=1S/C21H34/c1-5-15-10-18-19-11-16-8-6-7-9-17(16)13(3)21(19)14(4)20(18)12(15)2/h12-13,15-21H,4-11H2,1-3H3/t12?,13-,15?,16-,17+,18?,19?,20?,21?/m1/s1
InChIKeyMZHCEUSWBIQBDA-QTXZDULDSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane 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

(5aR,9aR)-2-ethyl-3,5-dimethyl-4-methylidene-1,2,3,3a,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydrocyclopenta[b]anthracene
CID 162302290
(9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane
CID 162288141
(5S,10S,11S,17R,22R)-11,16-dimethyl-13-methylidenehexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosane
CID 162283929
(3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
CID 162277758
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
1-ethyl-2,3,4-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162289049
1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
CID 22973488
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
2-ethylsulfanyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 139492923
1-ethyl-2-methyl-3-(3-methylcyclobutyl)cyclobutane
CID 91436616

Frequently Asked Questions

What is the IUPAC name of (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane?
The IUPAC name of (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane (CID 162302289) is (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane.
What is the SMILES notation for (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane?
The canonical SMILES for (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane is C=C1C2C(C)C(CC)CC2C2C[C@H]3CCCC[C@H]3[C@@H](C)C12.
What is the InChIKey of (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane?
The InChIKey is MZHCEUSWBIQBDA-QTXZDULDSA-N. The full InChI is InChI=1S/C21H34/c1-5-15-10-18-19-11-16-8-6-7-9-17(16)13(3)21(19)14(4)20(18)12(15)2/h12-13,15-21H,4-11H2,1-3H3/t12?,13-,15?,16-,17+,18?,19?,20?,21?/m1/s1.
What are the key properties of (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane?
(2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane has a molecular weight of 286.50 g/mol, XLogP of 5.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane is sourced from PubChem (CID 162302289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).