(Z)-3,4,4-trimethylpent-2-ene

C8H16 — CID 5369065

IUPAC(Z)-3,4,4-trimethylpent-2-ene
SMILESC/C=C(/C)C(C)(C)C
InChIInChI=1S/C8H16/c1-6-7(2)8(3,4)5/h6H,1-5H3/b7-6-
InChIKeyFZQMZRXKWHQJAG-SREVYHEPSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds

About (Z)-3,4,4-trimethylpent-2-ene

(Z)-3,4,4-trimethylpent-2-ene (PubChem CID 5369065) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is (Z)-3,4,4-trimethylpent-2-ene.

Molecular Properties

Compound Name(Z)-3,4,4-trimethylpent-2-ene
PubChem CID5369065
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name(Z)-3,4,4-trimethylpent-2-ene
SMILESC/C=C(/C)C(C)(C)C
InChIInChI=1S/C8H16/c1-6-7(2)8(3,4)5/h6H,1-5H3/b7-6-
InChIKeyFZQMZRXKWHQJAG-SREVYHEPSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,4,4-trimethylpent-2-ene?
The IUPAC name of (Z)-3,4,4-trimethylpent-2-ene (CID 5369065) is (Z)-3,4,4-trimethylpent-2-ene.
What is the SMILES notation for (Z)-3,4,4-trimethylpent-2-ene?
The canonical SMILES for (Z)-3,4,4-trimethylpent-2-ene is C/C=C(/C)C(C)(C)C.
What is the InChIKey of (Z)-3,4,4-trimethylpent-2-ene?
The InChIKey is FZQMZRXKWHQJAG-SREVYHEPSA-N. The full InChI is InChI=1S/C8H16/c1-6-7(2)8(3,4)5/h6H,1-5H3/b7-6-.
What are the key properties of (Z)-3,4,4-trimethylpent-2-ene?
(Z)-3,4,4-trimethylpent-2-ene has a molecular weight of 112.22 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4,4-trimethylpent-2-ene is sourced from PubChem (CID 5369065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).