(E)-4,7-dimethyloct-4-en-2-yne

C10H16 — CID 25098853

IUPAC(E)-4,7-dimethyloct-4-en-2-yne
SMILESCC#C/C(C)=C/CC(C)C
InChIInChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h8-9H,7H2,1-4H3/b10-8+
InChIKeyFETODDVJWSLFLP-CSKARUKUSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds2

About (E)-4,7-dimethyloct-4-en-2-yne

(E)-4,7-dimethyloct-4-en-2-yne (PubChem CID 25098853) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (E)-4,7-dimethyloct-4-en-2-yne.

Molecular Properties

Compound Name(E)-4,7-dimethyloct-4-en-2-yne
PubChem CID25098853
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(E)-4,7-dimethyloct-4-en-2-yne
SMILESCC#C/C(C)=C/CC(C)C
InChIInChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h8-9H,7H2,1-4H3/b10-8+
InChIKeyFETODDVJWSLFLP-CSKARUKUSA-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': '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
Santolina triene
CID 519872
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
Npc69930
CID 5358333
(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
(Z)-2,3-Dimethylhex-3-ene
CID 6430910
2,4,5-Trimethyl-2-hexene
CID 18362397
2-Methyl-3-methyl-3-hexene
CID 138945
2,3-Dimethyl-3-heptene
CID 5364739

Frequently Asked Questions

What is the IUPAC name of (E)-4,7-dimethyloct-4-en-2-yne?
The IUPAC name of (E)-4,7-dimethyloct-4-en-2-yne (CID 25098853) is (E)-4,7-dimethyloct-4-en-2-yne.
What is the SMILES notation for (E)-4,7-dimethyloct-4-en-2-yne?
The canonical SMILES for (E)-4,7-dimethyloct-4-en-2-yne is CC#C/C(C)=C/CC(C)C.
What is the InChIKey of (E)-4,7-dimethyloct-4-en-2-yne?
The InChIKey is FETODDVJWSLFLP-CSKARUKUSA-N. The full InChI is InChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h8-9H,7H2,1-4H3/b10-8+.
What are the key properties of (E)-4,7-dimethyloct-4-en-2-yne?
(E)-4,7-dimethyloct-4-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 (E)-4,7-dimethyloct-4-en-2-yne is sourced from PubChem (CID 25098853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).