1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane

C20H38 — CID 91475220

IUPAC1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane
SMILESCCC(C)(C)C1(C)C(C)(C)C2(C)C(C)(C)C(C)(C)C12C
InChIInChI=1S/C20H38/c1-13-14(2,3)18(10)17(8,9)19(11)15(4,5)16(6,7)20(18,19)12/h13H2,1-12H3
InChIKeyWJOXNCFHZCBKGL-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.55
Rot. Bonds2

About 1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane

1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane (PubChem CID 91475220) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane
PubChem CID91475220
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane
SMILESCCC(C)(C)C1(C)C(C)(C)C2(C)C(C)(C)C(C)(C)C12C
InChIInChI=1S/C20H38/c1-13-14(2,3)18(10)17(8,9)19(11)15(4,5)16(6,7)20(18,19)12/h13H2,1-12H3
InChIKeyWJOXNCFHZCBKGL-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane?
The IUPAC name of 1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane (CID 91475220) is 1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane.
What is the SMILES notation for 1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane?
The canonical SMILES for 1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane is CCC(C)(C)C1(C)C(C)(C)C2(C)C(C)(C)C(C)(C)C12C.
What is the InChIKey of 1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane?
The InChIKey is WJOXNCFHZCBKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-13-14(2,3)18(10)17(8,9)19(11)15(4,5)16(6,7)20(18,19)12/h13H2,1-12H3.
What are the key properties of 1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane?
1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane has a molecular weight of 278.52 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,5,5,6-nonamethyl-6-(2-methylbutan-2-yl)bicyclo[2.2.0]hexane is sourced from PubChem (CID 91475220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).