3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane

C21H34 — CID 123273442

IUPAC3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane
SMILESCCC1C2C(C)C(C)C2CC2C3CC(C21)C1C(C)C(C)C31
InChIInChI=1S/C21H34/c1-6-13-18-10(3)9(2)14(18)7-16-15-8-17(21(13)16)20-12(5)11(4)19(15)20/h9-21H,6-8H2,1-5H3
InChIKeyBFBRZRUEULOZLV-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.33
Rot. Bonds1

About 3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane

3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane (PubChem CID 123273442) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane.

Molecular Properties

Compound Name3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane
PubChem CID123273442
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane
SMILESCCC1C2C(C)C(C)C2CC2C3CC(C21)C1C(C)C(C)C31
InChIInChI=1S/C21H34/c1-6-13-18-10(3)9(2)14(18)7-16-15-8-17(21(13)16)20-12(5)11(4)19(15)20/h9-21H,6-8H2,1-5H3
InChIKeyBFBRZRUEULOZLV-UHFFFAOYSA-N
XLogP5.33
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 ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5,11,12-tetramethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 23600006
(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane
CID 159924784
carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 162292699
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane
CID 123436578
1,2,4,5,6,7-hexamethyl-3-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 59116018
(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane
CID 102370300
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
CID 123396298
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
3-ethylhexacyclo[10.6.1.15,8.02,11.04,9.013,18]icos-6-ene
CID 54136911
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane?
The IUPAC name of 3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane (CID 123273442) is 3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane.
What is the SMILES notation for 3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane?
The canonical SMILES for 3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane is CCC1C2C(C)C(C)C2CC2C3CC(C21)C1C(C)C(C)C31.
What is the InChIKey of 3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane?
The InChIKey is BFBRZRUEULOZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-6-13-18-10(3)9(2)14(18)7-16-15-8-17(21(13)16)20-12(5)11(4)19(15)20/h9-21H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane?
3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane has a molecular weight of 286.50 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane is sourced from PubChem (CID 123273442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).