(E)-3-ethyl-4-methylhept-3-en-1,5-diyne

C10H12 — CID 59189068

IUPAC(E)-3-ethyl-4-methylhept-3-en-1,5-diyne
SMILESC#C/C(CC)=C(\C)C#CC
InChIInChI=1S/C10H12/c1-5-8-9(4)10(6-2)7-3/h2H,7H2,1,3-4H3/b10-9-
InChIKeyZKKLXQLWPMONQD-KTKRTIGZSA-N
MW132.21 g/mol
LogP2.37
Rot. Bonds1

About (E)-3-ethyl-4-methylhept-3-en-1,5-diyne

(E)-3-ethyl-4-methylhept-3-en-1,5-diyne (PubChem CID 59189068) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is (E)-3-ethyl-4-methylhept-3-en-1,5-diyne.

Molecular Properties

Compound Name(E)-3-ethyl-4-methylhept-3-en-1,5-diyne
PubChem CID59189068
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name(E)-3-ethyl-4-methylhept-3-en-1,5-diyne
SMILESC#C/C(CC)=C(\C)C#CC
InChIInChI=1S/C10H12/c1-5-8-9(4)10(6-2)7-3/h2H,7H2,1,3-4H3/b10-9-
InChIKeyZKKLXQLWPMONQD-KTKRTIGZSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-3,6-octadien-1-yne
CID 53646631
3,5-Dimethylhex-3-en-1-yne
CID 6366132
6-Methyl-5-hepten-1-yne
CID 519983
(3Z)-3,7-Dimethyl-3,6-octadien-1-yne
CID 14496262
(Z)-6-methyloct-5-en-1-yne
CID 10953485
5,6-Dimethylhept-5-en-1-yne
CID 85563048
3,4-Diethynyl-2,5-dimethylhexa-2,4-diene
CID 154721570
(Z)-3,5-dimethylhex-3-en-1-yne
CID 15357563
3-Ethylhex-3-en-1-yne
CID 123675218
3,5-Dimethyl-3-hexen-1-yne
CID 3021219
(3E)-3,7-Dimethylocta-3,6-dien-1-yne
CID 22236741
(z)-3,4-Dipropylhex-3-ene-1,5-diyne
CID 12585185

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-4-methylhept-3-en-1,5-diyne?
The IUPAC name of (E)-3-ethyl-4-methylhept-3-en-1,5-diyne (CID 59189068) is (E)-3-ethyl-4-methylhept-3-en-1,5-diyne.
What is the SMILES notation for (E)-3-ethyl-4-methylhept-3-en-1,5-diyne?
The canonical SMILES for (E)-3-ethyl-4-methylhept-3-en-1,5-diyne is C#C/C(CC)=C(\C)C#CC.
What is the InChIKey of (E)-3-ethyl-4-methylhept-3-en-1,5-diyne?
The InChIKey is ZKKLXQLWPMONQD-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H12/c1-5-8-9(4)10(6-2)7-3/h2H,7H2,1,3-4H3/b10-9-.
What are the key properties of (E)-3-ethyl-4-methylhept-3-en-1,5-diyne?
(E)-3-ethyl-4-methylhept-3-en-1,5-diyne has a molecular weight of 132.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-4-methylhept-3-en-1,5-diyne is sourced from PubChem (CID 59189068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).