(Z)-4,5-diethynyloct-4-ene

C12H16 — CID 12585185

IUPAC(Z)-4,5-diethynyloct-4-ene
SMILESC#C/C(CCC)=C(\C#C)CCC
InChIInChI=1S/C12H16/c1-5-9-11(7-3)12(8-4)10-6-2/h3-4H,5-6,9-10H2,1-2H3/b12-11-
InChIKeyPAHLDLRJYXLQHY-QXMHVHEDSA-N
MW160.26 g/mol
LogP3.15
Rot. Bonds4

About (Z)-4,5-diethynyloct-4-ene

(Z)-4,5-diethynyloct-4-ene (PubChem CID 12585185) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (Z)-4,5-diethynyloct-4-ene.

Molecular Properties

Compound Name(Z)-4,5-diethynyloct-4-ene
PubChem CID12585185
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(Z)-4,5-diethynyloct-4-ene
SMILESC#C/C(CCC)=C(\C#C)CCC
InChIInChI=1S/C12H16/c1-5-9-11(7-3)12(8-4)10-6-2/h3-4H,5-6,9-10H2,1-2H3/b12-11-
InChIKeyPAHLDLRJYXLQHY-QXMHVHEDSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.15
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

(5E)-6,10-Dimethyl-5,9-undecadien-1-yne
CID 5365876
7-Methyl-3-methyleneoct-6-en-1-yne
CID 11018920
(5Z)-6,10-dimethylundeca-5,9-dien-1-yne
CID 11286780
5,6-Dimethylhept-5-en-1-yne
CID 85563048
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
CID 10955809
7-Methyloct-6-en-1-yne
CID 13778276
(6E)-2,6-dimethyldodeca-2,6-dien-10-yne
CID 138970676
(3E)-4,8-dimethylnona-3,7-dien-1-yne
CID 11008074
(Z)-6-ethyl-5-iodododec-5-en-7-yne
CID 10471117
(E)-4-ethynyloct-4-ene
CID 10606792
(5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
CID 11242015
1-Ethynyl-2-prop-1-ynylcyclopentene
CID 11297985

Frequently Asked Questions

What is the IUPAC name of (Z)-4,5-diethynyloct-4-ene?
The IUPAC name of (Z)-4,5-diethynyloct-4-ene (CID 12585185) is (Z)-4,5-diethynyloct-4-ene.
What is the SMILES notation for (Z)-4,5-diethynyloct-4-ene?
The canonical SMILES for (Z)-4,5-diethynyloct-4-ene is C#C/C(CCC)=C(\C#C)CCC.
What is the InChIKey of (Z)-4,5-diethynyloct-4-ene?
The InChIKey is PAHLDLRJYXLQHY-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H16/c1-5-9-11(7-3)12(8-4)10-6-2/h3-4H,5-6,9-10H2,1-2H3/b12-11-.
What are the key properties of (Z)-4,5-diethynyloct-4-ene?
(Z)-4,5-diethynyloct-4-ene has a molecular weight of 160.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-diethynyloct-4-ene is sourced from PubChem (CID 12585185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).