5-ethyl-2,3,4,7-tetramethyloctane

C14H30 — CID 57492474

IUPAC5-ethyl-2,3,4,7-tetramethyloctane
SMILESCCC(CC(C)C)C(C)C(C)C(C)C
InChIInChI=1S/C14H30/c1-8-14(9-10(2)3)13(7)12(6)11(4)5/h10-14H,8-9H2,1-7H3
InChIKeyNONJMQRXFAEDOR-UHFFFAOYSA-N
MW198.39 g/mol
LogP4.99
Rot. Bonds6

About 5-ethyl-2,3,4,7-tetramethyloctane

5-ethyl-2,3,4,7-tetramethyloctane (PubChem CID 57492474) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 5-ethyl-2,3,4,7-tetramethyloctane.

Molecular Properties

Compound Name5-ethyl-2,3,4,7-tetramethyloctane
PubChem CID57492474
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name5-ethyl-2,3,4,7-tetramethyloctane
SMILESCCC(CC(C)C)C(C)C(C)C(C)C
InChIInChI=1S/C14H30/c1-8-14(9-10(2)3)13(7)12(6)11(4)5/h10-14H,8-9H2,1-7H3
InChIKeyNONJMQRXFAEDOR-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3,4,7-tetramethyloctane?
The IUPAC name of 5-ethyl-2,3,4,7-tetramethyloctane (CID 57492474) is 5-ethyl-2,3,4,7-tetramethyloctane.
What is the SMILES notation for 5-ethyl-2,3,4,7-tetramethyloctane?
The canonical SMILES for 5-ethyl-2,3,4,7-tetramethyloctane is CCC(CC(C)C)C(C)C(C)C(C)C.
What is the InChIKey of 5-ethyl-2,3,4,7-tetramethyloctane?
The InChIKey is NONJMQRXFAEDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-8-14(9-10(2)3)13(7)12(6)11(4)5/h10-14H,8-9H2,1-7H3.
What are the key properties of 5-ethyl-2,3,4,7-tetramethyloctane?
5-ethyl-2,3,4,7-tetramethyloctane has a molecular weight of 198.39 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,4,7-tetramethyloctane is sourced from PubChem (CID 57492474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).