3,3,4,5,5-pentamethyl-4-propan-2-ylheptane

C15H32 — CID 91186540

IUPAC3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
SMILESCCC(C)(C)C(C)(C(C)C)C(C)(C)CC
InChIInChI=1S/C15H32/c1-10-13(5,6)15(9,12(3)4)14(7,8)11-2/h12H,10-11H2,1-9H3
InChIKeyYQELXOVTYREZNU-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.52
Rot. Bonds5

About 3,3,4,5,5-pentamethyl-4-propan-2-ylheptane

3,3,4,5,5-pentamethyl-4-propan-2-ylheptane (PubChem CID 91186540) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3,3,4,5,5-pentamethyl-4-propan-2-ylheptane.

Molecular Properties

Compound Name3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
PubChem CID91186540
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3,3,4,5,5-pentamethyl-4-propan-2-ylheptane
SMILESCCC(C)(C)C(C)(C(C)C)C(C)(C)CC
InChIInChI=1S/C15H32/c1-10-13(5,6)15(9,12(3)4)14(7,8)11-2/h12H,10-11H2,1-9H3
InChIKeyYQELXOVTYREZNU-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5-pentamethyl-4-propan-2-ylheptane?
The IUPAC name of 3,3,4,5,5-pentamethyl-4-propan-2-ylheptane (CID 91186540) is 3,3,4,5,5-pentamethyl-4-propan-2-ylheptane.
What is the SMILES notation for 3,3,4,5,5-pentamethyl-4-propan-2-ylheptane?
The canonical SMILES for 3,3,4,5,5-pentamethyl-4-propan-2-ylheptane is CCC(C)(C)C(C)(C(C)C)C(C)(C)CC.
What is the InChIKey of 3,3,4,5,5-pentamethyl-4-propan-2-ylheptane?
The InChIKey is YQELXOVTYREZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-10-13(5,6)15(9,12(3)4)14(7,8)11-2/h12H,10-11H2,1-9H3.
What are the key properties of 3,3,4,5,5-pentamethyl-4-propan-2-ylheptane?
3,3,4,5,5-pentamethyl-4-propan-2-ylheptane has a molecular weight of 212.42 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5-pentamethyl-4-propan-2-ylheptane is sourced from PubChem (CID 91186540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).