3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane

C23H48 — CID 123773378

IUPAC3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane
SMILESCCC(CCCC(C)C)CCCC(C)(C(C)C)C(CC)C(C)C
InChIInChI=1S/C23H48/c1-10-21(15-12-14-18(3)4)16-13-17-23(9,20(7)8)22(11-2)19(5)6/h18-22H,10-17H2,1-9H3
InChIKeyUWOYOOSLMQXUBT-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.35
Rot. Bonds13

About 3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane

3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane (PubChem CID 123773378) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane.

Molecular Properties

Compound Name3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane
PubChem CID123773378
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane
SMILESCCC(CCCC(C)C)CCCC(C)(C(C)C)C(CC)C(C)C
InChIInChI=1S/C23H48/c1-10-21(15-12-14-18(3)4)16-13-17-23(9,20(7)8)22(11-2)19(5)6/h18-22H,10-17H2,1-9H3
InChIKeyUWOYOOSLMQXUBT-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

10-ethyl-2-methyltridecane
CID 173195663
6,10-diethyl-2-methyldodecane;bis(3-ethyl-7,11-dimethyltridecane);7-ethyl-3,11-dimethyltridecane;6-ethyl-2,10,10-trimethyldodecane;bis(2,3,7,11-tetramethyltridecane);3,7,7,11-tetramethyltridecane;3,7,11-trimethyltetradecane
CID 160568203
15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol
CID 139255014
2-methyl-6-(methylsulfanylmethyl)octane
CID 123912596
3-ethylpentane;2,2,3-trimethylbutane
CID 159696459
6-ethyl-9,9-dimethyldecan-1-ol
CID 176971443
3,7-diethylnonane
CID 22089120
2-(4-methylpentyl)propane-1,3-diol
CID 83169762
5-ethyl-2,2-dimethyltetradecane
CID 162426700
8-ethyl-4,4-dimethylundecane
CID 123621747
6-ethyl-2,10,14-trimethylhexadecane;10-ethyl-2,6,14-trimethylhexadecane;14-ethyl-2,6,10-trimethylhexadecane;2,3,7,11,15-pentamethylhexadecane;2,6,10,14-tetramethylheptadecane;3,7,11,15-tetramethylheptadecane;3,7,11-trimethyltridecane
CID 158279904
6-ethyl-2,10,14-trimethylhexadecane;10-ethyl-2,6,14-trimethylhexadecane;14-ethyl-2,6,10-trimethylhexadecane;2,3,7,11,15-pentamethylhexadecane;2,6,10,14-tetramethylheptadecane;3,7,11,15-tetramethylheptadecane
CID 158613904

Frequently Asked Questions

What is the IUPAC name of 3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane?
The IUPAC name of 3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane (CID 123773378) is 3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane.
What is the SMILES notation for 3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane?
The canonical SMILES for 3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane is CCC(CCCC(C)C)CCCC(C)(C(C)C)C(CC)C(C)C.
What is the InChIKey of 3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane?
The InChIKey is UWOYOOSLMQXUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-10-21(15-12-14-18(3)4)16-13-17-23(9,20(7)8)22(11-2)19(5)6/h18-22H,10-17H2,1-9H3.
What are the key properties of 3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane?
3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane has a molecular weight of 324.64 g/mol, XLogP of 8.35, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethyl-2,4,12-trimethyl-4-propan-2-yltridecane is sourced from PubChem (CID 123773378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).