ethane;ethene;(Z)-4-methylhex-4-en-1-yne

C17H38 — CID 143719724

IUPACethane;ethene;(Z)-4-methylhex-4-en-1-yne
SMILESC#CC/C(C)=C\C.C=C.CC.CC.CC.CC
InChIInChI=1S/C7H10.4C2H6.C2H4/c1-4-6-7(3)5-2;5*1-2/h1,5H,6H2,2-3H3;4*1-2H3;1-2H2/b7-5-;;;;;
InChIKeyMDZTTWGUKUZQDT-PHEAZCCDSA-N
MW242.49 g/mol
LogP6.88
Rot. Bonds1

About ethane;ethene;(Z)-4-methylhex-4-en-1-yne

ethane;ethene;(Z)-4-methylhex-4-en-1-yne (PubChem CID 143719724) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is ethane;ethene;(Z)-4-methylhex-4-en-1-yne.

Molecular Properties

Compound Nameethane;ethene;(Z)-4-methylhex-4-en-1-yne
PubChem CID143719724
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Nameethane;ethene;(Z)-4-methylhex-4-en-1-yne
SMILESC#CC/C(C)=C\C.C=C.CC.CC.CC.CC
InChIInChI=1S/C7H10.4C2H6.C2H4/c1-4-6-7(3)5-2;5*1-2/h1,5H,6H2,2-3H3;4*1-2H3;1-2H2/b7-5-;;;;;
InChIKeyMDZTTWGUKUZQDT-PHEAZCCDSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.49
LogP ≤ 56.88
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'}

Analyze ethane;ethene;(Z)-4-methylhex-4-en-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-Dimethyl-3,6-octadien-1-yne
CID 53646631
(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
5,9,14,18,22-Pentamethyl-tricosa-5,9,13,17,21-pentaen-1-yne
CID 14544609
5,9,14,18-Tetramethyl-docosa-5,9,13,17-tetraene-1,21-diyne
CID 14544610
(3Z)-3,7-Dimethyl-3,6-octadien-1-yne
CID 14496262
4-Ethylnon-3-en-5-yne
CID 564545
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
CID 10955809
3-Ethylhex-3-en-1-yne
CID 123675218
(3E)-3,7-Dimethylocta-3,6-dien-1-yne
CID 22236741
(5Z,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
CID 11242015
(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-yne
CID 11479321
8-Ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 91571910

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(Z)-4-methylhex-4-en-1-yne?
The IUPAC name of ethane;ethene;(Z)-4-methylhex-4-en-1-yne (CID 143719724) is ethane;ethene;(Z)-4-methylhex-4-en-1-yne.
What is the SMILES notation for ethane;ethene;(Z)-4-methylhex-4-en-1-yne?
The canonical SMILES for ethane;ethene;(Z)-4-methylhex-4-en-1-yne is C#CC/C(C)=C\C.C=C.CC.CC.CC.CC.
What is the InChIKey of ethane;ethene;(Z)-4-methylhex-4-en-1-yne?
The InChIKey is MDZTTWGUKUZQDT-PHEAZCCDSA-N. The full InChI is InChI=1S/C7H10.4C2H6.C2H4/c1-4-6-7(3)5-2;5*1-2/h1,5H,6H2,2-3H3;4*1-2H3;1-2H2/b7-5-;;;;;.
What are the key properties of ethane;ethene;(Z)-4-methylhex-4-en-1-yne?
ethane;ethene;(Z)-4-methylhex-4-en-1-yne has a molecular weight of 242.49 g/mol, XLogP of 6.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(Z)-4-methylhex-4-en-1-yne is sourced from PubChem (CID 143719724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).