(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene

C17H38 — CID 142057667

IUPAC(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
SMILESC/C=C\C.C/C=C\C(C)=C/C.CC.CC.CC
InChIInChI=1S/C7H12.C4H8.3C2H6/c1-4-6-7(3)5-2;1-3-4-2;3*1-2/h4-6H,1-3H3;3-4H,1-2H3;3*1-2H3/b6-4-,7-5-;4-3-;;;
InChIKeyKSAHZJNTQJIGDL-OFBQYRKASA-N
MW242.49 g/mol
LogP7.19
Rot. Bonds1

About (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene

(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene (PubChem CID 142057667) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
PubChem CID142057667
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Name(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
SMILESC/C=C\C.C/C=C\C(C)=C/C.CC.CC.CC
InChIInChI=1S/C7H12.C4H8.3C2H6/c1-4-6-7(3)5-2;1-3-4-2;3*1-2/h4-6H,1-3H3;3-4H,1-2H3;3*1-2H3/b6-4-,7-5-;4-3-;;;
InChIKeyKSAHZJNTQJIGDL-OFBQYRKASA-N
XLogP7.19
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 ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene with MolForge

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Related Compounds

ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(E)-but-2-ene;ethane;2-methylbut-2-ene
CID 144902553
ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene
CID 144635902
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene
CID 144653602
(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377
ethane;(2Z,4Z)-4-methylocta-2,4-diene
CID 176669998
ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine
CID 143375975
(2Z,4Z)-N,N,3-trimethylhexa-2,4-dien-1-amine
CID 143279361
(Z)-but-2-ene;ethane
CID 90897883

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene?
The IUPAC name of (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene (CID 142057667) is (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene.
What is the SMILES notation for (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene?
The canonical SMILES for (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene is C/C=C\C.C/C=C\C(C)=C/C.CC.CC.CC.
What is the InChIKey of (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene?
The InChIKey is KSAHZJNTQJIGDL-OFBQYRKASA-N. The full InChI is InChI=1S/C7H12.C4H8.3C2H6/c1-4-6-7(3)5-2;1-3-4-2;3*1-2/h4-6H,1-3H3;3-4H,1-2H3;3*1-2H3/b6-4-,7-5-;4-3-;;;.
What are the key properties of (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene?
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene has a molecular weight of 242.49 g/mol, XLogP of 7.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene is sourced from PubChem (CID 142057667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).