6-ethyl-2-methylocta-1,6-dien-4-yne

C11H16 — CID 123717350

IUPAC6-ethyl-2-methylocta-1,6-dien-4-yne
SMILESC=C(C)CC#CC(=CC)CC
InChIInChI=1S/C11H16/c1-5-11(6-2)9-7-8-10(3)4/h5H,3,6,8H2,1-2,4H3
InChIKeyLPPQMGDYJDBQKH-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds2

About 6-ethyl-2-methylocta-1,6-dien-4-yne

6-ethyl-2-methylocta-1,6-dien-4-yne (PubChem CID 123717350) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 6-ethyl-2-methylocta-1,6-dien-4-yne.

Molecular Properties

Compound Name6-ethyl-2-methylocta-1,6-dien-4-yne
PubChem CID123717350
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name6-ethyl-2-methylocta-1,6-dien-4-yne
SMILESC=C(C)CC#CC(=CC)CC
InChIInChI=1S/C11H16/c1-5-11(6-2)9-7-8-10(3)4/h5H,3,6,8H2,1-2,4H3
InChIKeyLPPQMGDYJDBQKH-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4,4-Trimethyl-2-pentene
CID 7869
3-Methyl-3-heptene
CID 5364732
3-Ethyl-3-hexene
CID 140138
2,7-Dimethyl-2,6-octadiene
CID 519299
2,6-Dimethyl-2,5-heptadiene
CID 521945
2,2,4-Trimethyl-3-hexene
CID 5365974
(E)-2,4-Dimethylhex-3-ene
CID 5364721
Npc69930
CID 5358333
3,7-Dimethyl-3,6-octadien-1-yne
CID 53646631
(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
(Z)-3-Methylhept-3-ene
CID 5352144
cis-2,4-Dimethyl-3-hexene
CID 5463169

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methylocta-1,6-dien-4-yne?
The IUPAC name of 6-ethyl-2-methylocta-1,6-dien-4-yne (CID 123717350) is 6-ethyl-2-methylocta-1,6-dien-4-yne.
What is the SMILES notation for 6-ethyl-2-methylocta-1,6-dien-4-yne?
The canonical SMILES for 6-ethyl-2-methylocta-1,6-dien-4-yne is C=C(C)CC#CC(=CC)CC.
What is the InChIKey of 6-ethyl-2-methylocta-1,6-dien-4-yne?
The InChIKey is LPPQMGDYJDBQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-5-11(6-2)9-7-8-10(3)4/h5H,3,6,8H2,1-2,4H3.
What are the key properties of 6-ethyl-2-methylocta-1,6-dien-4-yne?
6-ethyl-2-methylocta-1,6-dien-4-yne has a molecular weight of 148.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methylocta-1,6-dien-4-yne is sourced from PubChem (CID 123717350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).