2,2,3,4,5-pentamethylheptane

C12H26 — CID 53428630

IUPAC2,2,3,4,5-pentamethylheptane
SMILESCCC(C)C(C)C(C)C(C)(C)C
InChIInChI=1S/C12H26/c1-8-9(2)10(3)11(4)12(5,6)7/h9-11H,8H2,1-7H3
InChIKeyXYDYIKVIGCXDLV-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.35
Rot. Bonds3

About 2,2,3,4,5-pentamethylheptane

2,2,3,4,5-pentamethylheptane (PubChem CID 53428630) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 2,2,3,4,5-pentamethylheptane.

Molecular Properties

Compound Name2,2,3,4,5-pentamethylheptane
PubChem CID53428630
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name2,2,3,4,5-pentamethylheptane
SMILESCCC(C)C(C)C(C)C(C)(C)C
InChIInChI=1S/C12H26/c1-8-9(2)10(3)11(4)12(5,6)7/h9-11H,8H2,1-7H3
InChIKeyXYDYIKVIGCXDLV-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5-pentamethylheptane?
The IUPAC name of 2,2,3,4,5-pentamethylheptane (CID 53428630) is 2,2,3,4,5-pentamethylheptane.
What is the SMILES notation for 2,2,3,4,5-pentamethylheptane?
The canonical SMILES for 2,2,3,4,5-pentamethylheptane is CCC(C)C(C)C(C)C(C)(C)C.
What is the InChIKey of 2,2,3,4,5-pentamethylheptane?
The InChIKey is XYDYIKVIGCXDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-8-9(2)10(3)11(4)12(5,6)7/h9-11H,8H2,1-7H3.
What are the key properties of 2,2,3,4,5-pentamethylheptane?
2,2,3,4,5-pentamethylheptane has a molecular weight of 170.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5-pentamethylheptane is sourced from PubChem (CID 53428630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).