4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane

C18H38 — CID 123401102

IUPAC4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane
SMILESCCCC(C)CC(C)C(CC)(CC(C)C)C(C)C
InChIInChI=1S/C18H38/c1-9-11-16(7)12-17(8)18(10-2,15(5)6)13-14(3)4/h14-17H,9-13H2,1-8H3
InChIKeyUXTWKEMBNNIAOP-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds9

About 4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane

4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane (PubChem CID 123401102) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane.

Molecular Properties

Compound Name4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane
PubChem CID123401102
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane
SMILESCCCC(C)CC(C)C(CC)(CC(C)C)C(C)C
InChIInChI=1S/C18H38/c1-9-11-16(7)12-17(8)18(10-2,15(5)6)13-14(3)4/h14-17H,9-13H2,1-8H3
InChIKeyUXTWKEMBNNIAOP-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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

3-ethyl-2,5-dimethyl-3-propan-2-ylhexane
CID 57491485
2,3,5-trimethyloctan-2-ol
CID 123479971
2,4,6-trimethyl-4-propan-2-ylnonane
CID 90931226
3,3,5,7-tetramethyldecane
CID 57491663
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,6,8,10-pentamethyltridecane
CID 20715673
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
(4S,6S)-2,4,6-trimethylnonane-4-thiol
CID 92951034
3-ethyl-2,5-dimethyloctan-3-amine
CID 62619979
(4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene
CID 21387004

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane?
The IUPAC name of 4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane (CID 123401102) is 4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane.
What is the SMILES notation for 4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane?
The canonical SMILES for 4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane is CCCC(C)CC(C)C(CC)(CC(C)C)C(C)C.
What is the InChIKey of 4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane?
The InChIKey is UXTWKEMBNNIAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-9-11-16(7)12-17(8)18(10-2,15(5)6)13-14(3)4/h14-17H,9-13H2,1-8H3.
What are the key properties of 4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane?
4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5,7-trimethyl-4-propan-2-yldecane is sourced from PubChem (CID 123401102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).