6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane

C25H52 — CID 123961694

IUPAC6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane
SMILESCCCCCCC(C)C(CCC)C(C)(CC)C(C)C(CCC)C(C)C
InChIInChI=1S/C25H52/c1-10-14-15-16-19-21(7)24(18-12-3)25(9,13-4)22(8)23(17-11-2)20(5)6/h20-24H,10-19H2,1-9H3
InChIKeyUGSQKMKXOPHRAR-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.13
Rot. Bonds15

About 6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane

6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane (PubChem CID 123961694) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane.

Molecular Properties

Compound Name6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane
PubChem CID123961694
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane
SMILESCCCCCCC(C)C(CCC)C(C)(CC)C(C)C(CCC)C(C)C
InChIInChI=1S/C25H52/c1-10-14-15-16-19-21(7)24(18-12-3)25(9,13-4)22(8)23(17-11-2)20(5)6/h20-24H,10-19H2,1-9H3
InChIKeyUGSQKMKXOPHRAR-UHFFFAOYSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(3-ethyl-3,4,5-trimethylhexan-2-yl)-8-methylhexadecane
CID 123557975
5-methyl-4-propan-2-yltetradecane
CID 123996280
5-ethyl-3,4,5-trimethyl-6-propan-2-yltridecane
CID 123414725
3,3,4,5-tetramethyldodecane
CID 175562493
3,3,4-trimethyl-5-propan-2-yloctane
CID 57492714
2,3-dimethylnonacosane
CID 71331945
2-methyl-3-propan-2-yltetradecane
CID 154298453
4,5-dimethylnonadecane
CID 123321090
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
8,9-dimethylhexacosane
CID 160651612
11,12-dimethyloctacosane
CID 23345853

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane?
The IUPAC name of 6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane (CID 123961694) is 6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane.
What is the SMILES notation for 6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane?
The canonical SMILES for 6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane is CCCCCCC(C)C(CCC)C(C)(CC)C(C)C(CCC)C(C)C.
What is the InChIKey of 6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane?
The InChIKey is UGSQKMKXOPHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-10-14-15-16-19-21(7)24(18-12-3)25(9,13-4)22(8)23(17-11-2)20(5)6/h20-24H,10-19H2,1-9H3.
What are the key properties of 6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane?
6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane has a molecular weight of 352.69 g/mol, XLogP of 9.13, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,6,8-trimethyl-4-propan-2-yl-7-propyltetradecane is sourced from PubChem (CID 123961694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).