(Z)-2,2-dimethyldec-5-en-3-yne

C12H20 — CID 5368806

IUPAC(Z)-2,2-dimethyldec-5-en-3-yne
SMILESCCCC/C=C\C#CC(C)(C)C
InChIInChI=1S/C12H20/c1-5-6-7-8-9-10-11-12(2,3)4/h8-9H,5-7H2,1-4H3/b9-8-
InChIKeyYEZJQHUOIXLDIE-HJWRWDBZSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds3

About (Z)-2,2-dimethyldec-5-en-3-yne

(Z)-2,2-dimethyldec-5-en-3-yne (PubChem CID 5368806) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (Z)-2,2-dimethyldec-5-en-3-yne.

Molecular Properties

Compound Name(Z)-2,2-dimethyldec-5-en-3-yne
PubChem CID5368806
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(Z)-2,2-dimethyldec-5-en-3-yne
SMILESCCCC/C=C\C#CC(C)(C)C
InChIInChI=1S/C12H20/c1-5-6-7-8-9-10-11-12(2,3)4/h8-9H,5-7H2,1-4H3/b9-8-
InChIKeyYEZJQHUOIXLDIE-HJWRWDBZSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,2-Dimethylhept-3-ene
CID 5352650
5-Undecen-3-yne
CID 5367385
trans-5-Dodecen-7-yne
CID 5358334
Npc69930
CID 5358333
(Z)-dodec-5-en-7-yne
CID 5367447
4-Nonen-2-yne, (E)-
CID 5365537
(E)-5-Undecen-3-yne
CID 53083
3-Octen-5-yne, 2,7-dimethyl-, (Z)-
CID 5368770
4-Tridecen-6-yne, (E)-
CID 5367374
Pentadeca-2,9-diene-4,6-diyne
CID 71346816
(1Z,4Z,8Z)-1,3,3,8-tetramethylcycloundeca-1,4,8-triene
CID 101349815
1,4-Tridecadiene-7,9-diyne
CID 163088238

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-dimethyldec-5-en-3-yne?
The IUPAC name of (Z)-2,2-dimethyldec-5-en-3-yne (CID 5368806) is (Z)-2,2-dimethyldec-5-en-3-yne.
What is the SMILES notation for (Z)-2,2-dimethyldec-5-en-3-yne?
The canonical SMILES for (Z)-2,2-dimethyldec-5-en-3-yne is CCCC/C=C\C#CC(C)(C)C.
What is the InChIKey of (Z)-2,2-dimethyldec-5-en-3-yne?
The InChIKey is YEZJQHUOIXLDIE-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H20/c1-5-6-7-8-9-10-11-12(2,3)4/h8-9H,5-7H2,1-4H3/b9-8-.
What are the key properties of (Z)-2,2-dimethyldec-5-en-3-yne?
(Z)-2,2-dimethyldec-5-en-3-yne has a molecular weight of 164.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-dimethyldec-5-en-3-yne is sourced from PubChem (CID 5368806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).