(E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne

C14H12 — CID 59901506

IUPAC(E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne
SMILESC#CC#C/C(C)=C(/C#CC#CC)CC
InChIInChI=1S/C14H12/c1-5-8-10-12-14(7-3)13(4)11-9-6-2/h2H,7H2,1,3-4H3/b14-13+
InChIKeyHGQIEJZJHADLIV-BUHFOSPRSA-N
MW180.25 g/mol
LogP2.38
Rot. Bonds1

About (E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne

(E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne (PubChem CID 59901506) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is (E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne.

Molecular Properties

Compound Name(E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne
PubChem CID59901506
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name(E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne
SMILESC#CC#C/C(C)=C(/C#CC#CC)CC
InChIInChI=1S/C14H12/c1-5-8-10-12-14(7-3)13(4)11-9-6-2/h2H,7H2,1,3-4H3/b14-13+
InChIKeyHGQIEJZJHADLIV-BUHFOSPRSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.38
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)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne?
The IUPAC name of (E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne (CID 59901506) is (E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne.
What is the SMILES notation for (E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne?
The canonical SMILES for (E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne is C#CC#C/C(C)=C(/C#CC#CC)CC.
What is the InChIKey of (E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne?
The InChIKey is HGQIEJZJHADLIV-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H12/c1-5-8-10-12-14(7-3)13(4)11-9-6-2/h2H,7H2,1,3-4H3/b14-13+.
What are the key properties of (E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne?
(E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne has a molecular weight of 180.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne is sourced from PubChem (CID 59901506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).