6-butan-2-yl-4-ethyl-2,7-dimethyldecane

C18H38 — CID 57320369

IUPAC6-butan-2-yl-4-ethyl-2,7-dimethyldecane
SMILESCCCC(C)C(CC(CC)CC(C)C)C(C)CC
InChIInChI=1S/C18H38/c1-8-11-16(7)18(15(6)9-2)13-17(10-3)12-14(4)5/h14-18H,8-13H2,1-7H3
InChIKeyTZDOHFGDUONYPY-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds10

About 6-butan-2-yl-4-ethyl-2,7-dimethyldecane

6-butan-2-yl-4-ethyl-2,7-dimethyldecane (PubChem CID 57320369) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 6-butan-2-yl-4-ethyl-2,7-dimethyldecane.

Molecular Properties

Compound Name6-butan-2-yl-4-ethyl-2,7-dimethyldecane
PubChem CID57320369
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name6-butan-2-yl-4-ethyl-2,7-dimethyldecane
SMILESCCCC(C)C(CC(CC)CC(C)C)C(C)CC
InChIInChI=1S/C18H38/c1-8-11-16(7)18(15(6)9-2)13-17(10-3)12-14(4)5/h14-18H,8-13H2,1-7H3
InChIKeyTZDOHFGDUONYPY-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-2-methylheptane;methane
CID 160575103
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
(3R)-3,4-dimethylheptane
CID 59819300
4-ethyl-2,7-dimethyloctane
CID 53423923
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
[2,5-dimethyl-4-(2-methylpropyl)octan-3-yl]phosphane
CID 139294709
2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
CID 90766744
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
2,5-dimethyl-4-propyloctane
CID 57491236
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-4-ethyl-2,7-dimethyldecane?
The IUPAC name of 6-butan-2-yl-4-ethyl-2,7-dimethyldecane (CID 57320369) is 6-butan-2-yl-4-ethyl-2,7-dimethyldecane.
What is the SMILES notation for 6-butan-2-yl-4-ethyl-2,7-dimethyldecane?
The canonical SMILES for 6-butan-2-yl-4-ethyl-2,7-dimethyldecane is CCCC(C)C(CC(CC)CC(C)C)C(C)CC.
What is the InChIKey of 6-butan-2-yl-4-ethyl-2,7-dimethyldecane?
The InChIKey is TZDOHFGDUONYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-8-11-16(7)18(15(6)9-2)13-17(10-3)12-14(4)5/h14-18H,8-13H2,1-7H3.
What are the key properties of 6-butan-2-yl-4-ethyl-2,7-dimethyldecane?
6-butan-2-yl-4-ethyl-2,7-dimethyldecane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-4-ethyl-2,7-dimethyldecane is sourced from PubChem (CID 57320369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).