3,3,5-trimethylheptane

C10H22 — CID 23544

IUPAC3,3,5-trimethylheptane
SMILESCCC(C)CC(C)(C)CC
InChIInChI=1S/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3
InChIKeyVRVRZZWPKABUOE-UHFFFAOYSA-N
MW142.29 g/mol
LogP3.86
Rot. Bonds4

About 3,3,5-trimethylheptane

3,3,5-trimethylheptane (PubChem CID 23544) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is 3,3,5-trimethylheptane.

Molecular Properties

Compound Name3,3,5-trimethylheptane
PubChem CID23544
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name3,3,5-trimethylheptane
SMILESCCC(C)CC(C)(C)CC
InChIInChI=1S/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3
InChIKeyVRVRZZWPKABUOE-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethylheptane?
The IUPAC name of 3,3,5-trimethylheptane (CID 23544) is 3,3,5-trimethylheptane.
What is the SMILES notation for 3,3,5-trimethylheptane?
The canonical SMILES for 3,3,5-trimethylheptane is CCC(C)CC(C)(C)CC.
What is the InChIKey of 3,3,5-trimethylheptane?
The InChIKey is VRVRZZWPKABUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3.
What are the key properties of 3,3,5-trimethylheptane?
3,3,5-trimethylheptane has a molecular weight of 142.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethylheptane is sourced from PubChem (CID 23544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).