(5Z)-hepta-1,5-dien-3-yne

C7H8 — CID 142841775

IUPAC(5Z)-hepta-1,5-dien-3-yne
SMILESC=CC#C/C=C\C
InChIInChI=1S/C7H8/c1-3-5-7-6-4-2/h3-4,6H,1H2,2H3/b6-4-
InChIKeyAIKGMUZHUHXBCF-XQRVVYSFSA-N
MW92.14 g/mol
LogP1.75
Rot. Bonds

About (5Z)-hepta-1,5-dien-3-yne

(5Z)-hepta-1,5-dien-3-yne (PubChem CID 142841775) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is (5Z)-hepta-1,5-dien-3-yne.

Molecular Properties

Compound Name(5Z)-hepta-1,5-dien-3-yne
PubChem CID142841775
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Name(5Z)-hepta-1,5-dien-3-yne
SMILESC=CC#C/C=C\C
InChIInChI=1S/C7H8/c1-3-5-7-6-4-2/h3-4,6H,1H2,2H3/b6-4-
InChIKeyAIKGMUZHUHXBCF-XQRVVYSFSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.75
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,7E)-nona-1,5,7-trien-3-yne
CID 641686
(3E)-octa-1,3,7-trien-5-yne
CID 5369442
(3Z)-octa-1,3,7-trien-5-yne
CID 102533659
hex-2-en-4-yne
CID 518874
(Z)-hex-2-en-4-yne
CID 5367513
(7E)-nona-1,7-dien-5-yne
CID 15529252
(5E)-7-bromohepta-1,5-dien-3-yne
CID 91999239
(9E)-tetradeca-9,13-dien-11-yn-1-ol
CID 15705025
(E)-hex-4-en-2-yn-1-ol
CID 10996965
(Z)-oct-2-en-4-yne
CID 5367022
(E,2S)-hept-5-en-3-yn-2-ol
CID 85470640
but-2-ene;bis(prop-1-ene)
CID 157334183

Frequently Asked Questions

What is the IUPAC name of (5Z)-hepta-1,5-dien-3-yne?
The IUPAC name of (5Z)-hepta-1,5-dien-3-yne (CID 142841775) is (5Z)-hepta-1,5-dien-3-yne.
What is the SMILES notation for (5Z)-hepta-1,5-dien-3-yne?
The canonical SMILES for (5Z)-hepta-1,5-dien-3-yne is C=CC#C/C=C\C.
What is the InChIKey of (5Z)-hepta-1,5-dien-3-yne?
The InChIKey is AIKGMUZHUHXBCF-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H8/c1-3-5-7-6-4-2/h3-4,6H,1H2,2H3/b6-4-.
What are the key properties of (5Z)-hepta-1,5-dien-3-yne?
(5Z)-hepta-1,5-dien-3-yne has a molecular weight of 92.14 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-hepta-1,5-dien-3-yne is sourced from PubChem (CID 142841775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).