4-methylnon-3-en-6-yne

C10H16 — CID 123162664

IUPAC4-methylnon-3-en-6-yne
SMILESCCC#CCC(C)=CCC
InChIInChI=1S/C10H16/c1-4-6-7-9-10(3)8-5-2/h8H,4-5,9H2,1-3H3
InChIKeyVJKQGBGGEYJDPL-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.15
Rot. Bonds2

About 4-methylnon-3-en-6-yne

4-methylnon-3-en-6-yne (PubChem CID 123162664) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4-methylnon-3-en-6-yne.

Molecular Properties

Compound Name4-methylnon-3-en-6-yne
PubChem CID123162664
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4-methylnon-3-en-6-yne
SMILESCCC#CCC(C)=CCC
InChIInChI=1S/C10H16/c1-4-6-7-9-10(3)8-5-2/h8H,4-5,9H2,1-3H3
InChIKeyVJKQGBGGEYJDPL-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.15
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 4-methylnon-3-en-6-yne?
The IUPAC name of 4-methylnon-3-en-6-yne (CID 123162664) is 4-methylnon-3-en-6-yne.
What is the SMILES notation for 4-methylnon-3-en-6-yne?
The canonical SMILES for 4-methylnon-3-en-6-yne is CCC#CCC(C)=CCC.
What is the InChIKey of 4-methylnon-3-en-6-yne?
The InChIKey is VJKQGBGGEYJDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-6-7-9-10(3)8-5-2/h8H,4-5,9H2,1-3H3.
What are the key properties of 4-methylnon-3-en-6-yne?
4-methylnon-3-en-6-yne has a molecular weight of 136.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnon-3-en-6-yne is sourced from PubChem (CID 123162664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).