2,3,6-trimethylheptane

C10H22 — CID 19944

IUPAC2,3,6-trimethylheptane
SMILESCC(C)CCC(C)C(C)C
InChIInChI=1S/C10H22/c1-8(2)6-7-10(5)9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyIHPXJGBVRWFEJB-UHFFFAOYSA-N
MW142.29 g/mol
LogP3.71
Rot. Bonds4

About 2,3,6-trimethylheptane

2,3,6-trimethylheptane (PubChem CID 19944) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is 2,3,6-trimethylheptane.

Molecular Properties

Compound Name2,3,6-trimethylheptane
PubChem CID19944
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name2,3,6-trimethylheptane
SMILESCC(C)CCC(C)C(C)C
InChIInChI=1S/C10H22/c1-8(2)6-7-10(5)9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyIHPXJGBVRWFEJB-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylheptane?
The IUPAC name of 2,3,6-trimethylheptane (CID 19944) is 2,3,6-trimethylheptane.
What is the SMILES notation for 2,3,6-trimethylheptane?
The canonical SMILES for 2,3,6-trimethylheptane is CC(C)CCC(C)C(C)C.
What is the InChIKey of 2,3,6-trimethylheptane?
The InChIKey is IHPXJGBVRWFEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22/c1-8(2)6-7-10(5)9(3)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,3,6-trimethylheptane?
2,3,6-trimethylheptane has a molecular weight of 142.29 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylheptane is sourced from PubChem (CID 19944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).