6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane

C22H46 — CID 173426717

IUPAC6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane
SMILESCCCCC(CC(C)C)(C(C)CC)C(C)C(CCC)C(C)C
InChIInChI=1S/C22H46/c1-10-13-15-22(16-17(4)5,19(8)12-3)20(9)21(14-11-2)18(6)7/h17-21H,10-16H2,1-9H3
InChIKeySWBPPZWUHBMNCN-UHFFFAOYSA-N
MW310.61 g/mol
LogP7.96
Rot. Bonds12

About 6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane

6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane (PubChem CID 173426717) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane.

Molecular Properties

Compound Name6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane
PubChem CID173426717
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane
SMILESCCCCC(CC(C)C)(C(C)CC)C(C)C(CCC)C(C)C
InChIInChI=1S/C22H46/c1-10-13-15-22(16-17(4)5,19(8)12-3)20(9)21(14-11-2)18(6)7/h17-21H,10-16H2,1-9H3
InChIKeySWBPPZWUHBMNCN-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-butan-2-yl-3-methyl-4-propylnonane
CID 123540962
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
3,3,4-trimethyl-5-propan-2-yloctane
CID 57492714
6,6-dibutyl-2-methyldecane
CID 150480915
5-(2-methylpropyl)nonan-5-amine
CID 88761377
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
4,4-bis(chloromethyl)-2-methyloctane
CID 79448135
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831
4-propan-2-yl-5-propylnonane
CID 54297700
4-bromo-2-methyl-4-(2-methylpropyl)octane
CID 175058351

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane?
The IUPAC name of 6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane (CID 173426717) is 6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane.
What is the SMILES notation for 6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane?
The canonical SMILES for 6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane is CCCCC(CC(C)C)(C(C)CC)C(C)C(CCC)C(C)C.
What is the InChIKey of 6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane?
The InChIKey is SWBPPZWUHBMNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-10-13-15-22(16-17(4)5,19(8)12-3)20(9)21(14-11-2)18(6)7/h17-21H,10-16H2,1-9H3.
What are the key properties of 6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane?
6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane has a molecular weight of 310.61 g/mol, XLogP of 7.96, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-methyl-6-(2-methylpropyl)-4-propan-2-yldecane is sourced from PubChem (CID 173426717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).