6,7-dimethyloct-5-en-2-yne

C10H16 — CID 91612504

IUPAC6,7-dimethyloct-5-en-2-yne
SMILESCC#CCC=C(C)C(C)C
InChIInChI=1S/C10H16/c1-5-6-7-8-10(4)9(2)3/h8-9H,7H2,1-4H3
InChIKeyLLHVCZLFMGNDFK-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds2

About 6,7-dimethyloct-5-en-2-yne

6,7-dimethyloct-5-en-2-yne (PubChem CID 91612504) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 6,7-dimethyloct-5-en-2-yne.

Molecular Properties

Compound Name6,7-dimethyloct-5-en-2-yne
PubChem CID91612504
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name6,7-dimethyloct-5-en-2-yne
SMILESCC#CCC=C(C)C(C)C
InChIInChI=1S/C10H16/c1-5-6-7-8-10(4)9(2)3/h8-9H,7H2,1-4H3
InChIKeyLLHVCZLFMGNDFK-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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-Hexene, 2,5-dimethyl-
CID 18853
3,5-Dimethyl-3-heptene
CID 5364776
3,5-Dimethyl-3-heptene (cis-and trans-mixture)
CID 521894
2,4-Dimethyl-2-hexene
CID 518909
2,3-Dimethyl-3-hexene
CID 5357262
(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
cis-2,4-Dimethyl-3-hexene
CID 5463169
(Z)-2,3-Dimethylhex-3-ene
CID 6430910
2-Methyl-3-methyl-3-hexene
CID 138945

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyloct-5-en-2-yne?
The IUPAC name of 6,7-dimethyloct-5-en-2-yne (CID 91612504) is 6,7-dimethyloct-5-en-2-yne.
What is the SMILES notation for 6,7-dimethyloct-5-en-2-yne?
The canonical SMILES for 6,7-dimethyloct-5-en-2-yne is CC#CCC=C(C)C(C)C.
What is the InChIKey of 6,7-dimethyloct-5-en-2-yne?
The InChIKey is LLHVCZLFMGNDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-6-7-8-10(4)9(2)3/h8-9H,7H2,1-4H3.
What are the key properties of 6,7-dimethyloct-5-en-2-yne?
6,7-dimethyloct-5-en-2-yne has a molecular weight of 136.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyloct-5-en-2-yne is sourced from PubChem (CID 91612504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).