3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane

C66H124 — CID 123256051

IUPAC3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane
SMILESC=CC(CC)C(CC(C)(C)C(CC)CCCCC1C(C)C2CC2C(CCC)C(CC)(C(C)(C)C2CC(C)CCCCC(C)C(C)C(C)C2C(C)C)C(C)C1CCC)=C(CCCCC)C(C)C
InChIInChI=1S/C66H124/c1-22-29-30-40-55(45(8)9)60(53(25-4)26-5)44-64(18,19)54(27-6)39-33-34-41-56-51(16)58-43-59(58)61(36-24-3)66(28-7,52(17)57(56)35-23-2)65(20,21)62-42-47(12)37-31-32-38-48(13)49(14)50(15)63(62)46(10)11/h25,45-54,56-59,61-63H,4,22-24,26-44H2,1-3,5-21H3
InChIKeyCFEHYOBLBYEKPI-UHFFFAOYSA-N
MW917.72 g/mol
LogP21.92
Rot. Bonds25

About 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane

3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane (PubChem CID 123256051) has the molecular formula C66H124 and a molecular weight of 917.72 g/mol. Its IUPAC name is 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane.

Molecular Properties

Compound Name3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane
PubChem CID123256051
Molecular FormulaC66H124
Molecular Weight917.72 g/mol
Exact Mass916.97
IUPAC Name3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane
SMILESC=CC(CC)C(CC(C)(C)C(CC)CCCCC1C(C)C2CC2C(CCC)C(CC)(C(C)(C)C2CC(C)CCCCC(C)C(C)C(C)C2C(C)C)C(C)C1CCC)=C(CCCCC)C(C)C
InChIInChI=1S/C66H124/c1-22-29-30-40-55(45(8)9)60(53(25-4)26-5)44-64(18,19)54(27-6)39-33-34-41-56-51(16)58-43-59(58)61(36-24-3)66(28-7,52(17)57(56)35-23-2)65(20,21)62-42-47(12)37-31-32-38-48(13)49(14)50(15)63(62)46(10)11/h25,45-54,56-59,61-63H,4,22-24,26-44H2,1-3,5-21H3
InChIKeyCFEHYOBLBYEKPI-UHFFFAOYSA-N
XLogP21.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.72
LogP ≤ 521.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane with MolForge

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CID 162890398
(4R)-1-[(2R,5S,6E,8S,11R,15R)-5-ethenyl-5,8,11,15,16-pentamethyl-12-methylideneheptadeca-6,16-dien-2-yl]-3,3,4-trimethylcyclohexene
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3,7,11,15,15-Pentamethylbicyclo(12.1.0)pentadeca-2,6,10-triene
CID 6450251
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane?
The IUPAC name of 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane (CID 123256051) is 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane.
What is the SMILES notation for 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane?
The canonical SMILES for 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane is C=CC(CC)C(CC(C)(C)C(CC)CCCCC1C(C)C2CC2C(CCC)C(CC)(C(C)(C)C2CC(C)CCCCC(C)C(C)C(C)C2C(C)C)C(C)C1CCC)=C(CCCCC)C(C)C.
What is the InChIKey of 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane?
The InChIKey is CFEHYOBLBYEKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H124/c1-22-29-30-40-55(45(8)9)60(53(25-4)26-5)44-64(18,19)54(27-6)39-33-34-41-56-51(16)58-43-59(58)61(36-24-3)66(28-7,52(17)57(56)35-23-2)65(20,21)62-42-47(12)37-31-32-38-48(13)49(14)50(15)63(62)46(10)11/h25,45-54,56-59,61-63H,4,22-24,26-44H2,1-3,5-21H3.
What are the key properties of 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane?
3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane has a molecular weight of 917.72 g/mol, XLogP of 21.92, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane is sourced from PubChem (CID 123256051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).