2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane

C20H38 — CID 145352950

IUPAC2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane
SMILESCCC1C(C)C2C(CC(C)(C)C)CC(CC(C)(C)C)C12
InChIInChI=1S/C20H38/c1-9-16-13(2)17-14(11-19(3,4)5)10-15(18(16)17)12-20(6,7)8/h13-18H,9-12H2,1-8H3
InChIKeyVUJKJUIJZRFPDK-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.40
Rot. Bonds3

About 2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane

2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane (PubChem CID 145352950) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane
PubChem CID145352950
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane
SMILESCCC1C(C)C2C(CC(C)(C)C)CC(CC(C)(C)C)C12
InChIInChI=1S/C20H38/c1-9-16-13(2)17-14(11-19(3,4)5)10-15(18(16)17)12-20(6,7)8/h13-18H,9-12H2,1-8H3
InChIKeyVUJKJUIJZRFPDK-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane
CID 144521814
3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
CID 123396298
1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane
CID 123380149
2-(2,2-dimethylpropyl)-4-propylbicyclo[3.2.0]heptane
CID 163656344
2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane
CID 163904880
4,5-bis(2,2-dimethylpropyl)cyclohexane-1,2-dicarboxylic acid
CID 155177346
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
3-(2,2-dimethylpropyl)-2-methyloxetane
CID 118284226
2-ethyl-1,3-dimethyl-4-(2-methylbutan-2-yl)cyclopentane
CID 123981733
1-ethyl-2-(2-ethyl-2-methylcyclopropyl)-3-methylcyclopropane
CID 90879674
2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
CID 58331735

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane?
The IUPAC name of 2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane (CID 145352950) is 2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane.
What is the SMILES notation for 2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane?
The canonical SMILES for 2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane is CCC1C(C)C2C(CC(C)(C)C)CC(CC(C)(C)C)C12.
What is the InChIKey of 2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane?
The InChIKey is VUJKJUIJZRFPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-9-16-13(2)17-14(11-19(3,4)5)10-15(18(16)17)12-20(6,7)8/h13-18H,9-12H2,1-8H3.
What are the key properties of 2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane?
2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane has a molecular weight of 278.52 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane is sourced from PubChem (CID 145352950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).