3,5-diethyl-4,7,8-trimethyldodecane

C19H40 — CID 123740222

IUPAC3,5-diethyl-4,7,8-trimethyldodecane
SMILESCCCCC(C)C(C)CC(CC)C(C)C(CC)CC
InChIInChI=1S/C19H40/c1-8-12-13-15(5)16(6)14-19(11-4)17(7)18(9-2)10-3/h15-19H,8-14H2,1-7H3
InChIKeyODZYTJYTTICWOW-UHFFFAOYSA-N
MW268.53 g/mol
LogP6.94
Rot. Bonds11

About 3,5-diethyl-4,7,8-trimethyldodecane

3,5-diethyl-4,7,8-trimethyldodecane (PubChem CID 123740222) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 3,5-diethyl-4,7,8-trimethyldodecane.

Molecular Properties

Compound Name3,5-diethyl-4,7,8-trimethyldodecane
PubChem CID123740222
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name3,5-diethyl-4,7,8-trimethyldodecane
SMILESCCCCC(C)C(C)CC(CC)C(C)C(CC)CC
InChIInChI=1S/C19H40/c1-8-12-13-15(5)16(6)14-19(11-4)17(7)18(9-2)10-3/h15-19H,8-14H2,1-7H3
InChIKeyODZYTJYTTICWOW-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5,6-trimethyldecane
CID 57490917
4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane
CID 142573468
5-butan-2-yl-3-ethyl-4-methylnonane
CID 123762542
5,6,14,15-tetramethylnonadecane
CID 123473711
3,4-dimethyloctane-1,1-diamine
CID 156699535
6-ethyl-4,7-dimethylundecane
CID 123910768
6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane
CID 123656705
3,6,8,9-tetramethyltridec-4-ene
CID 123991866
alumane;2,3-dimethylheptane
CID 174508099
4,5-diethylnonane
CID 21188862
(3R)-2,3-dimethylheptane;ethane
CID 163241846
2,3-dimethylheptane;ethane
CID 156648444

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4,7,8-trimethyldodecane?
The IUPAC name of 3,5-diethyl-4,7,8-trimethyldodecane (CID 123740222) is 3,5-diethyl-4,7,8-trimethyldodecane.
What is the SMILES notation for 3,5-diethyl-4,7,8-trimethyldodecane?
The canonical SMILES for 3,5-diethyl-4,7,8-trimethyldodecane is CCCCC(C)C(C)CC(CC)C(C)C(CC)CC.
What is the InChIKey of 3,5-diethyl-4,7,8-trimethyldodecane?
The InChIKey is ODZYTJYTTICWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-8-12-13-15(5)16(6)14-19(11-4)17(7)18(9-2)10-3/h15-19H,8-14H2,1-7H3.
What are the key properties of 3,5-diethyl-4,7,8-trimethyldodecane?
3,5-diethyl-4,7,8-trimethyldodecane has a molecular weight of 268.53 g/mol, XLogP of 6.94, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4,7,8-trimethyldodecane is sourced from PubChem (CID 123740222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).