2-methoxy-2,4,4,6,6-pentamethylheptane

C13H28O — CID 21096817

IUPAC2-methoxy-2,4,4,6,6-pentamethylheptane
SMILESCOC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H28O/c1-11(2,3)9-12(4,5)10-13(6,7)14-8/h9-10H2,1-8H3
InChIKeyTZUQNVHPENWSBR-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.26
Rot. Bonds4

About 2-methoxy-2,4,4,6,6-pentamethylheptane

2-methoxy-2,4,4,6,6-pentamethylheptane (PubChem CID 21096817) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-methoxy-2,4,4,6,6-pentamethylheptane.

Molecular Properties

Compound Name2-methoxy-2,4,4,6,6-pentamethylheptane
PubChem CID21096817
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2-methoxy-2,4,4,6,6-pentamethylheptane
SMILESCOC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H28O/c1-11(2,3)9-12(4,5)10-13(6,7)14-8/h9-10H2,1-8H3
InChIKeyTZUQNVHPENWSBR-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,4,4,6,6-pentamethylheptane?
The IUPAC name of 2-methoxy-2,4,4,6,6-pentamethylheptane (CID 21096817) is 2-methoxy-2,4,4,6,6-pentamethylheptane.
What is the SMILES notation for 2-methoxy-2,4,4,6,6-pentamethylheptane?
The canonical SMILES for 2-methoxy-2,4,4,6,6-pentamethylheptane is COC(C)(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-methoxy-2,4,4,6,6-pentamethylheptane?
The InChIKey is TZUQNVHPENWSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-11(2,3)9-12(4,5)10-13(6,7)14-8/h9-10H2,1-8H3.
What are the key properties of 2-methoxy-2,4,4,6,6-pentamethylheptane?
2-methoxy-2,4,4,6,6-pentamethylheptane has a molecular weight of 200.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,4,4,6,6-pentamethylheptane is sourced from PubChem (CID 21096817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).