2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane

C26H50 — CID 123746392

IUPAC2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane
SMILESCC(C)CC1C(C)C2(C)C1C(C)C2(C)C(C)(C)C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C26H50/c1-16(2)15-20-18(5)25(13)21(20)19(6)26(25,14)24(11,12)23(9,10)22(7,8)17(3)4/h16-21H,15H2,1-14H3
InChIKeyWLFQXSGZNVJSIG-UHFFFAOYSA-N
MW362.69 g/mol
LogP8.31
Rot. Bonds6

About 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane

2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane (PubChem CID 123746392) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane
PubChem CID123746392
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane
SMILESCC(C)CC1C(C)C2(C)C1C(C)C2(C)C(C)(C)C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C26H50/c1-16(2)15-20-18(5)25(13)21(20)19(6)26(25,14)24(11,12)23(9,10)22(7,8)17(3)4/h16-21H,15H2,1-14H3
InChIKeyWLFQXSGZNVJSIG-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane?
The IUPAC name of 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane (CID 123746392) is 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane.
What is the SMILES notation for 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane?
The canonical SMILES for 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane is CC(C)CC1C(C)C2(C)C1C(C)C2(C)C(C)(C)C(C)(C)C(C)(C)C(C)C.
What is the InChIKey of 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane?
The InChIKey is WLFQXSGZNVJSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50/c1-16(2)15-20-18(5)25(13)21(20)19(6)26(25,14)24(11,12)23(9,10)22(7,8)17(3)4/h16-21H,15H2,1-14H3.
What are the key properties of 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane?
2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane has a molecular weight of 362.69 g/mol, XLogP of 8.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-1,2,3,6-tetramethyl-5-(2-methylpropyl)bicyclo[2.2.0]hexane is sourced from PubChem (CID 123746392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).