2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane

C16H34 — CID 142114488

IUPAC2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane
SMILESCC(C)C(CC(C)(C)C)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H34/c1-12(2)13(11-14(3,4)5)16(9,10)15(6,7)8/h12-13H,11H2,1-10H3
InChIKeyDLTWIBDIXDGLHP-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds3

About 2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane

2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane (PubChem CID 142114488) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane.

Molecular Properties

Compound Name2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane
PubChem CID142114488
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane
SMILESCC(C)C(CC(C)(C)C)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H34/c1-12(2)13(11-14(3,4)5)16(9,10)15(6,7)8/h12-13H,11H2,1-10H3
InChIKeyDLTWIBDIXDGLHP-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane?
The IUPAC name of 2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane (CID 142114488) is 2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane.
What is the SMILES notation for 2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane?
The canonical SMILES for 2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane is CC(C)C(CC(C)(C)C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane?
The InChIKey is DLTWIBDIXDGLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-12(2)13(11-14(3,4)5)16(9,10)15(6,7)8/h12-13H,11H2,1-10H3.
What are the key properties of 2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane?
2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane is sourced from PubChem (CID 142114488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).