(3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane

C21H34 — CID 162277758

IUPAC(3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
SMILESC=C1C(C)C(CC)C2CC3C[C@H]4CCCC[C@H]4C(C)C3C12
InChIInChI=1S/C21H34/c1-5-17-12(2)13(3)21-19(17)11-16-10-15-8-6-7-9-18(15)14(4)20(16)21/h12,14-21H,3,5-11H2,1-2,4H3/t12?,14?,15-,16?,17?,18+,19?,20?,21?/m1/s1
InChIKeyXSLNPONKNJVNGV-LLGMWJOZSA-N
MW286.50 g/mol
LogP5.93
Rot. Bonds1

About (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane

(3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane (PubChem CID 162277758) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane.

Molecular Properties

Compound Name(3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
PubChem CID162277758
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name(3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
SMILESC=C1C(C)C(CC)C2CC3C[C@H]4CCCC[C@H]4C(C)C3C12
InChIInChI=1S/C21H34/c1-5-17-12(2)13(3)21-19(17)11-16-10-15-8-6-7-9-18(15)14(4)20(16)21/h12,14-21H,3,5-11H2,1-2,4H3/t12?,14?,15-,16?,17?,18+,19?,20?,21?/m1/s1
InChIKeyXSLNPONKNJVNGV-LLGMWJOZSA-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 (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane with MolForge

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Related Compounds

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CID 162283929
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
(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
(2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
CID 162302289
(4aR,8aS)-3-ethyl-2-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162292694
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
2-ethyl-3-methylbicyclo[5.1.0]octane
CID 123245029
1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 144809704
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
CID 22973488
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CID 90841263

Frequently Asked Questions

What is the IUPAC name of (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane?
The IUPAC name of (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane (CID 162277758) is (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane.
What is the SMILES notation for (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane?
The canonical SMILES for (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane is C=C1C(C)C(CC)C2CC3C[C@H]4CCCC[C@H]4C(C)C3C12.
What is the InChIKey of (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane?
The InChIKey is XSLNPONKNJVNGV-LLGMWJOZSA-N. The full InChI is InChI=1S/C21H34/c1-5-17-12(2)13(3)21-19(17)11-16-10-15-8-6-7-9-18(15)14(4)20(16)21/h12,14-21H,3,5-11H2,1-2,4H3/t12?,14?,15-,16?,17?,18+,19?,20?,21?/m1/s1.
What are the key properties of (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane?
(3R,8R)-14-ethyl-9,13-dimethyl-12-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 (3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane is sourced from PubChem (CID 162277758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).