4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane

C28H54 — CID 123911551

IUPAC4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane
SMILESCCCC(CC)C1C(C)CC(C)C(CC)C(CCC)C(C)C2C(C)C2C1CC
InChIInChI=1S/C28H54/c1-10-15-22(12-3)26-19(7)17-18(6)23(13-4)25(16-11-2)20(8)27-21(9)28(27)24(26)14-5/h18-28H,10-17H2,1-9H3
InChIKeyHDCCIQJIKUYYHD-UHFFFAOYSA-N
MW390.74 g/mol
LogP9.09
Rot. Bonds8

About 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane

4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane (PubChem CID 123911551) has the molecular formula C28H54 and a molecular weight of 390.74 g/mol. Its IUPAC name is 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane.

Molecular Properties

Compound Name4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane
PubChem CID123911551
Molecular FormulaC28H54
Molecular Weight390.74 g/mol
Exact Mass390.42
IUPAC Name4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane
SMILESCCCC(CC)C1C(C)CC(C)C(CC)C(CCC)C(C)C2C(C)C2C1CC
InChIInChI=1S/C28H54/c1-10-15-22(12-3)26-19(7)17-18(6)23(13-4)25(16-11-2)20(8)27-21(9)28(27)24(26)14-5/h18-28H,10-17H2,1-9H3
InChIKeyHDCCIQJIKUYYHD-UHFFFAOYSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.74
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane with MolForge

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Related Compounds

2-hexan-3-yl-1,3,4-trimethylcyclohexane
CID 123632457
1,3-diethyl-4-methyl-2-propylcyclopentane
CID 143310394
4-hexan-3-yl-1,3,5-trimethylpiperidine
CID 167309553
3-hexan-3-yltricyclo[4.1.0.02,4]heptane
CID 163727409
2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
CID 59917128
5-ethyl-6-propylbicyclo[2.2.1]hept-2-ene
CID 154358020
(1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane
CID 58644913
1-methyl-2-(5-methyloctan-3-yl)cyclopropane
CID 123251321
2,5-dimethyl-3-propylbicyclo[2.2.0]hexane
CID 91214227
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid
CID 59036872
1-ethyl-2,3-dimethyl-4-(6-methyldecan-3-yl)cyclobutane
CID 123143515

Frequently Asked Questions

What is the IUPAC name of 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane?
The IUPAC name of 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane (CID 123911551) is 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane.
What is the SMILES notation for 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane?
The canonical SMILES for 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane is CCCC(CC)C1C(C)CC(C)C(CC)C(CCC)C(C)C2C(C)C2C1CC.
What is the InChIKey of 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane?
The InChIKey is HDCCIQJIKUYYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54/c1-10-15-22(12-3)26-19(7)17-18(6)23(13-4)25(16-11-2)20(8)27-21(9)28(27)24(26)14-5/h18-28H,10-17H2,1-9H3.
What are the key properties of 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane?
4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane has a molecular weight of 390.74 g/mol, XLogP of 9.09, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane is sourced from PubChem (CID 123911551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).