2,2,3,3,5,6,6-heptamethylheptane

C14H30 — CID 23652

IUPAC2,2,3,3,5,6,6-heptamethylheptane
SMILESCC(CC(C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h11H,10H2,1-9H3
InChIKeyOTNCYIBPUVFLLZ-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.13
Rot. Bonds2

About 2,2,3,3,5,6,6-heptamethylheptane

2,2,3,3,5,6,6-heptamethylheptane (PubChem CID 23652) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,2,3,3,5,6,6-heptamethylheptane.

Molecular Properties

Compound Name2,2,3,3,5,6,6-heptamethylheptane
PubChem CID23652
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,2,3,3,5,6,6-heptamethylheptane
SMILESCC(CC(C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h11H,10H2,1-9H3
InChIKeyOTNCYIBPUVFLLZ-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

3,4-Dimethylheptane
CID 13534
2,3,3-Trimethylpentane
CID 11215
Heptane, 5-ethyl-2-methyl-
CID 26056
2,2,4-Trimethylheptane
CID 26839
2,4-Dimethylheptane
CID 16656
3,3,5-Trimethylheptane
CID 23544
2,3-Dimethylheptane
CID 26375
1,1,2-Trimethylcyclohexane
CID 35363
4,5-Dimethylnonane
CID 86541
2,2,4,6,6-Pentamethylheptane
CID 26058
2,2,3-Trimethylpentane
CID 11255
2,5-Dimethylheptane
CID 16662

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,6,6-heptamethylheptane?
The IUPAC name of 2,2,3,3,5,6,6-heptamethylheptane (CID 23652) is 2,2,3,3,5,6,6-heptamethylheptane.
What is the SMILES notation for 2,2,3,3,5,6,6-heptamethylheptane?
The canonical SMILES for 2,2,3,3,5,6,6-heptamethylheptane is CC(CC(C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,5,6,6-heptamethylheptane?
The InChIKey is OTNCYIBPUVFLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h11H,10H2,1-9H3.
What are the key properties of 2,2,3,3,5,6,6-heptamethylheptane?
2,2,3,3,5,6,6-heptamethylheptane has a molecular weight of 198.39 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,6,6-heptamethylheptane is sourced from PubChem (CID 23652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).