(E)-4-tert-butyloct-4-ene

C12H24 — CID 140632550

IUPAC(E)-4-tert-butyloct-4-ene
SMILESCCC/C=C(\CCC)C(C)(C)C
InChIInChI=1S/C12H24/c1-6-8-10-11(9-7-2)12(3,4)5/h10H,6-9H2,1-5H3/b11-10+
InChIKeyPSLFBBDZEHOVTA-ZHACJKMWSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds4

About (E)-4-tert-butyloct-4-ene

(E)-4-tert-butyloct-4-ene (PubChem CID 140632550) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (E)-4-tert-butyloct-4-ene.

Molecular Properties

Compound Name(E)-4-tert-butyloct-4-ene
PubChem CID140632550
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(E)-4-tert-butyloct-4-ene
SMILESCCC/C=C(\CCC)C(C)(C)C
InChIInChI=1S/C12H24/c1-6-8-10-11(9-7-2)12(3,4)5/h10H,6-9H2,1-5H3/b11-10+
InChIKeyPSLFBBDZEHOVTA-ZHACJKMWSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,2-dimethylhept-3-ene
CID 54053277
2,2,3-trimethylhept-3-ene
CID 73411222
4-tert-butyloct-3-ene
CID 123879820
4,8-ditert-butylundeca-4,7-dien-6-one
CID 139998297
(Z)-1-fluoropent-1-en-1-ol
CID 173232591
(E)-3-ethyl-4,4-dimethylpent-2-ene
CID 5369078
diethyl-[(Z)-oct-4-en-4-yl]alumane
CID 177486544
4-ethynyloct-4-ene
CID 85203899
(E)-4-bromooct-4-ene
CID 13093303
(E)-3-tert-butylhept-3-en-2-one
CID 121216608
2,3-dimethylhept-3-en-2-ol
CID 175454494
(E)-4-nitrooct-4-ene
CID 6507983

Frequently Asked Questions

What is the IUPAC name of (E)-4-tert-butyloct-4-ene?
The IUPAC name of (E)-4-tert-butyloct-4-ene (CID 140632550) is (E)-4-tert-butyloct-4-ene.
What is the SMILES notation for (E)-4-tert-butyloct-4-ene?
The canonical SMILES for (E)-4-tert-butyloct-4-ene is CCC/C=C(\CCC)C(C)(C)C.
What is the InChIKey of (E)-4-tert-butyloct-4-ene?
The InChIKey is PSLFBBDZEHOVTA-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24/c1-6-8-10-11(9-7-2)12(3,4)5/h10H,6-9H2,1-5H3/b11-10+.
What are the key properties of (E)-4-tert-butyloct-4-ene?
(E)-4-tert-butyloct-4-ene has a molecular weight of 168.32 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-tert-butyloct-4-ene is sourced from PubChem (CID 140632550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).