4-tert-butyl-2,4,6-trimethylheptane

C14H30 — CID 57493093

IUPAC4-tert-butyl-2,4,6-trimethylheptane
SMILESCC(C)CC(C)(CC(C)C)C(C)(C)C
InChIInChI=1S/C14H30/c1-11(2)9-14(8,10-12(3)4)13(5,6)7/h11-12H,9-10H2,1-8H3
InChIKeyCMKVGPNHCNBBEZ-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.13
Rot. Bonds4

About 4-tert-butyl-2,4,6-trimethylheptane

4-tert-butyl-2,4,6-trimethylheptane (PubChem CID 57493093) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 4-tert-butyl-2,4,6-trimethylheptane.

Molecular Properties

Compound Name4-tert-butyl-2,4,6-trimethylheptane
PubChem CID57493093
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name4-tert-butyl-2,4,6-trimethylheptane
SMILESCC(C)CC(C)(CC(C)C)C(C)(C)C
InChIInChI=1S/C14H30/c1-11(2)9-14(8,10-12(3)4)13(5,6)7/h11-12H,9-10H2,1-8H3
InChIKeyCMKVGPNHCNBBEZ-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-tert-butyl-2,4,6-trimethylheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-Dimethylheptane
CID 13534
2,3,3-Trimethylpentane
CID 11215
2,2,4-Trimethylheptane
CID 26839
2,4-Dimethylheptane
CID 16656
3,3,5-Trimethylheptane
CID 23544
Heptane, 5-ethyl-2-methyl-
CID 26056
2,3-Dimethylheptane
CID 26375
1,1,2-Trimethylcyclohexane
CID 35363
4,5-Dimethylnonane
CID 86541
2,2,3-Trimethylpentane
CID 11255
2,5-Dimethylheptane
CID 16662
Heptane, 2,3,6-trimethyl-
CID 19944

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,4,6-trimethylheptane?
The IUPAC name of 4-tert-butyl-2,4,6-trimethylheptane (CID 57493093) is 4-tert-butyl-2,4,6-trimethylheptane.
What is the SMILES notation for 4-tert-butyl-2,4,6-trimethylheptane?
The canonical SMILES for 4-tert-butyl-2,4,6-trimethylheptane is CC(C)CC(C)(CC(C)C)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2,4,6-trimethylheptane?
The InChIKey is CMKVGPNHCNBBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-11(2)9-14(8,10-12(3)4)13(5,6)7/h11-12H,9-10H2,1-8H3.
What are the key properties of 4-tert-butyl-2,4,6-trimethylheptane?
4-tert-butyl-2,4,6-trimethylheptane has a molecular weight of 198.39 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,4,6-trimethylheptane is sourced from PubChem (CID 57493093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).