(E)-5-ethyl-3,4,5-trimethylhept-3-ene

C12H24 — CID 19035602

IUPAC(E)-5-ethyl-3,4,5-trimethylhept-3-ene
SMILESCC/C(C)=C(\C)C(C)(CC)CC
InChIInChI=1S/C12H24/c1-7-10(4)11(5)12(6,8-2)9-3/h7-9H2,1-6H3/b11-10+
InChIKeyCDWWZFAUKNVLBS-ZHACJKMWSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds4

About (E)-5-ethyl-3,4,5-trimethylhept-3-ene

(E)-5-ethyl-3,4,5-trimethylhept-3-ene (PubChem CID 19035602) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (E)-5-ethyl-3,4,5-trimethylhept-3-ene.

Molecular Properties

Compound Name(E)-5-ethyl-3,4,5-trimethylhept-3-ene
PubChem CID19035602
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(E)-5-ethyl-3,4,5-trimethylhept-3-ene
SMILESCC/C(C)=C(\C)C(C)(CC)CC
InChIInChI=1S/C12H24/c1-7-10(4)11(5)12(6,8-2)9-3/h7-9H2,1-6H3/b11-10+
InChIKeyCDWWZFAUKNVLBS-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

1,2,4,4-Tetramethylcyclopentene
CID 144123
Npc36747
CID 5369064
2-Hexene, 2,3,5,5-tetramethyl-
CID 141765
Tetramethylcyclopropene
CID 141282
(E)-2,3-Di-tert-butyl-2-butene
CID 638064
1,2,3,3-Tetramethylcyclopentene
CID 14141137
1,3-Cyclopentadiene, 1,2,3,4,5,5-hexamethyl-
CID 138108
3,4,4-Trimethylhex-2-ene
CID 521474
(Z)-2,3-Di-tert-butyl-2-butene
CID 3036372
2,3,4,4-Tetramethyl-2-pentene
CID 12923851
2,3,4-Trimethylhex-2-ene
CID 17861707
2,5,5-Trimethyl-2-heptene
CID 91380773

Frequently Asked Questions

What is the IUPAC name of (E)-5-ethyl-3,4,5-trimethylhept-3-ene?
The IUPAC name of (E)-5-ethyl-3,4,5-trimethylhept-3-ene (CID 19035602) is (E)-5-ethyl-3,4,5-trimethylhept-3-ene.
What is the SMILES notation for (E)-5-ethyl-3,4,5-trimethylhept-3-ene?
The canonical SMILES for (E)-5-ethyl-3,4,5-trimethylhept-3-ene is CC/C(C)=C(\C)C(C)(CC)CC.
What is the InChIKey of (E)-5-ethyl-3,4,5-trimethylhept-3-ene?
The InChIKey is CDWWZFAUKNVLBS-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24/c1-7-10(4)11(5)12(6,8-2)9-3/h7-9H2,1-6H3/b11-10+.
What are the key properties of (E)-5-ethyl-3,4,5-trimethylhept-3-ene?
(E)-5-ethyl-3,4,5-trimethylhept-3-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)-5-ethyl-3,4,5-trimethylhept-3-ene is sourced from PubChem (CID 19035602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).