2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane

C21H44 — CID 123199465

IUPAC2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane
SMILESCC(C)C(CCCC(C)(C)C)CC(C)C(C)C(C)C(C)C
InChIInChI=1S/C21H44/c1-15(2)18(6)19(7)17(5)14-20(16(3)4)12-11-13-21(8,9)10/h15-20H,11-14H2,1-10H3
InChIKeyNCYYZSANBSNRNU-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.43
Rot. Bonds9

About 2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane

2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane (PubChem CID 123199465) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane.

Molecular Properties

Compound Name2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane
PubChem CID123199465
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane
SMILESCC(C)C(CCCC(C)(C)C)CC(C)C(C)C(C)C(C)C
InChIInChI=1S/C21H44/c1-15(2)18(6)19(7)17(5)14-20(16(3)4)12-11-13-21(8,9)10/h15-20H,11-14H2,1-10H3
InChIKeyNCYYZSANBSNRNU-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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7-methyl-5-propan-2-yloctan-1-ol
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7-ethyl-2,3,4,5,9-pentamethyl-8-propan-2-yldecane
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1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
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3-chloro-2,2,7,7-tetramethyloctane
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2,2,6-trimethyloctane
CID 522006

Frequently Asked Questions

What is the IUPAC name of 2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane?
The IUPAC name of 2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane (CID 123199465) is 2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane.
What is the SMILES notation for 2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane?
The canonical SMILES for 2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane is CC(C)C(CCCC(C)(C)C)CC(C)C(C)C(C)C(C)C.
What is the InChIKey of 2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane?
The InChIKey is NCYYZSANBSNRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-15(2)18(6)19(7)17(5)14-20(16(3)4)12-11-13-21(8,9)10/h15-20H,11-14H2,1-10H3.
What are the key properties of 2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane?
2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane has a molecular weight of 296.58 g/mol, XLogP of 7.43, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8,9,10,11-hexamethyl-6-propan-2-yldodecane is sourced from PubChem (CID 123199465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).