(3Z)-3,7-dimethylocta-3,6-dien-1-yne

C10H14 — CID 14496262

IUPAC(3Z)-3,7-dimethylocta-3,6-dien-1-yne
SMILESC#C/C(C)=C\CC=C(C)C
InChIInChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h1,7-8H,6H2,2-4H3/b10-8-
InChIKeyAJUDLCRYEGKSIL-NTMALXAHSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds2

About (3Z)-3,7-dimethylocta-3,6-dien-1-yne

(3Z)-3,7-dimethylocta-3,6-dien-1-yne (PubChem CID 14496262) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (3Z)-3,7-dimethylocta-3,6-dien-1-yne.

Molecular Properties

Compound Name(3Z)-3,7-dimethylocta-3,6-dien-1-yne
PubChem CID14496262
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(3Z)-3,7-dimethylocta-3,6-dien-1-yne
SMILESC#C/C(C)=C\CC=C(C)C
InChIInChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h1,7-8H,6H2,2-4H3/b10-8-
InChIKeyAJUDLCRYEGKSIL-NTMALXAHSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
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

3,7-Dimethyl-3,6-octadien-1-yne
CID 53646631
(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
3,5-Dimethylhex-3-en-1-yne
CID 6366132
(E)-Pent-1-yne-3-ene, 3-ethyl-
CID 5462864
(5E)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne
CID 13757540
2-Hexen-4-yne
CID 5463113
6-Methyl-5-hepten-1-yne
CID 519983
(5E)-6,10-Dimethyl-5,9-undecadien-1-yne
CID 5365876
7-Methyl-3-methyleneoct-6-en-1-yne
CID 11018920
(5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne
CID 134992749
(Z)-6-methyloct-5-en-1-yne
CID 10953485
(5Z)-6,10-dimethylundeca-5,9-dien-1-yne
CID 11286780

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,7-dimethylocta-3,6-dien-1-yne?
The IUPAC name of (3Z)-3,7-dimethylocta-3,6-dien-1-yne (CID 14496262) is (3Z)-3,7-dimethylocta-3,6-dien-1-yne.
What is the SMILES notation for (3Z)-3,7-dimethylocta-3,6-dien-1-yne?
The canonical SMILES for (3Z)-3,7-dimethylocta-3,6-dien-1-yne is C#C/C(C)=C\CC=C(C)C.
What is the InChIKey of (3Z)-3,7-dimethylocta-3,6-dien-1-yne?
The InChIKey is AJUDLCRYEGKSIL-NTMALXAHSA-N. The full InChI is InChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h1,7-8H,6H2,2-4H3/b10-8-.
What are the key properties of (3Z)-3,7-dimethylocta-3,6-dien-1-yne?
(3Z)-3,7-dimethylocta-3,6-dien-1-yne has a molecular weight of 134.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,7-dimethylocta-3,6-dien-1-yne is sourced from PubChem (CID 14496262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).