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

C17H36 — CID 123480533

IUPAC4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane
SMILESCCC(C)(C)C(C)(CC)C(C)(C(C)C)C(C)C
InChIInChI=1S/C17H36/c1-11-15(7,8)16(9,12-2)17(10,13(3)4)14(5)6/h13-14H,11-12H2,1-10H3
InChIKeyVQTMRNLOPPMOLO-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.16
Rot. Bonds6

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

4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane (PubChem CID 123480533) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane.

Molecular Properties

Compound Name4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane
PubChem CID123480533
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane
SMILESCCC(C)(C)C(C)(CC)C(C)(C(C)C)C(C)C
InChIInChI=1S/C17H36/c1-11-15(7,8)16(9,12-2)17(10,13(3)4)14(5)6/h13-14H,11-12H2,1-10H3
InChIKeyVQTMRNLOPPMOLO-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane?
The IUPAC name of 4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane (CID 123480533) is 4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane.
What is the SMILES notation for 4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane?
The canonical SMILES for 4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane is CCC(C)(C)C(C)(CC)C(C)(C(C)C)C(C)C.
What is the InChIKey of 4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane?
The InChIKey is VQTMRNLOPPMOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-11-15(7,8)16(9,12-2)17(10,13(3)4)14(5)6/h13-14H,11-12H2,1-10H3.
What are the key properties of 4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane?
4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane has a molecular weight of 240.47 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,4,5,5-pentamethyl-3-propan-2-ylheptane is sourced from PubChem (CID 123480533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).