6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane

C21H40 — CID 123365588

IUPAC6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane
SMILESCCC(C)(CC)C(C)(C)C1(C)CC2(C)CC(C)C(C)(C)C21
InChIInChI=1S/C21H40/c1-11-20(9,12-2)18(6,7)21(10)14-19(8)13-15(3)17(4,5)16(19)21/h15-16H,11-14H2,1-10H3
InChIKeyDXIQTPHACMQZDI-UHFFFAOYSA-N
MW292.55 g/mol
LogP6.94
Rot. Bonds4

About 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane

6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane (PubChem CID 123365588) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane
PubChem CID123365588
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane
SMILESCCC(C)(CC)C(C)(C)C1(C)CC2(C)CC(C)C(C)(C)C21
InChIInChI=1S/C21H40/c1-11-20(9,12-2)18(6,7)21(10)14-19(8)13-15(3)17(4,5)16(19)21/h15-16H,11-14H2,1-10H3
InChIKeyDXIQTPHACMQZDI-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane with MolForge

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Related Compounds

1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane
CID 123741342
trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane
CID 163416827
3,4,6,7-tetramethyltricyclo[4.2.1.01,4]nonane
CID 123897411
1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane
CID 142046748
1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane
CID 138526002
1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane
CID 123700647
1,2-dimethyl-1-propan-2-ylcyclopropane
CID 91248342
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
2,2-bis(3-ethylhexan-3-ylperoxy)-1,1,3-trimethylcyclohexane
CID 101294833
1,1,2-trimethyl-3-(2-methylbutan-2-yl)cyclobutane
CID 90886074
5,5-bis(3-ethylpentan-3-ylperoxy)-1,1,2-trimethylcyclohexane
CID 101294788

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane?
The IUPAC name of 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane (CID 123365588) is 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane?
The canonical SMILES for 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane is CCC(C)(CC)C(C)(C)C1(C)CC2(C)CC(C)C(C)(C)C21.
What is the InChIKey of 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane?
The InChIKey is DXIQTPHACMQZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-11-20(9,12-2)18(6,7)21(10)14-19(8)13-15(3)17(4,5)16(19)21/h15-16H,11-14H2,1-10H3.
What are the key properties of 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane?
6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane has a molecular weight of 292.55 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-2,3-dimethylpentan-2-yl)-1,3,4,4,6-pentamethylbicyclo[3.2.0]heptane is sourced from PubChem (CID 123365588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).