(Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne

C14H26 — CID 143339409

IUPAC(Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne
SMILESC#CC/C=C/CCC.C/C=C\C.CC
InChIInChI=1S/C8H12.C4H8.C2H6/c1-3-5-7-8-6-4-2;1-3-4-2;1-2/h1,7-8H,4-6H2,2H3;3-4H,1-2H3;1-2H3/b8-7+;4-3-;
InChIKeyKKJJMHULZQHNTC-LWFOKIIQSA-N
MW194.36 g/mol
LogP4.97
Rot. Bonds3

About (Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne

(Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne (PubChem CID 143339409) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne
PubChem CID143339409
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne
SMILESC#CC/C=C/CCC.C/C=C\C.CC
InChIInChI=1S/C8H12.C4H8.C2H6/c1-3-5-7-8-6-4-2;1-3-4-2;1-2/h1,7-8H,4-6H2,2H3;3-4H,1-2H3;1-2H3/b8-7+;4-3-;
InChIKeyKKJJMHULZQHNTC-LWFOKIIQSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.97
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'}

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Related Compounds

ethane;undec-7-en-1,4-diyne
CID 162284206
ethane;(E)-oct-4-ene
CID 142055407
but-2-ene;hex-2-ene;oct-4-ene;ruthenium
CID 161087465
ethane;(E)-hex-2-ene
CID 142405633
but-1-yne;oct-4-en-1-yne;propane;prop-2-ynylbenzene
CID 160828891
(6Z)-deca-2,6-diene
CID 159397578
butane;ethane;(E)-hex-2-ene
CID 143010099
N-methylhept-3-en-6-yn-1-amine
CID 79593161
(4E,8E)-dodeca-4,8-diene
CID 12576905
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4Z,6Z)-undeca-4,6-dien-1-yne
CID 11321032
non-5-en-2-yn-1-ol
CID 57194533

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne?
The IUPAC name of (Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne (CID 143339409) is (Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne.
What is the SMILES notation for (Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne?
The canonical SMILES for (Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne is C#CC/C=C/CCC.C/C=C\C.CC.
What is the InChIKey of (Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne?
The InChIKey is KKJJMHULZQHNTC-LWFOKIIQSA-N. The full InChI is InChI=1S/C8H12.C4H8.C2H6/c1-3-5-7-8-6-4-2;1-3-4-2;1-2/h1,7-8H,4-6H2,2H3;3-4H,1-2H3;1-2H3/b8-7+;4-3-;.
What are the key properties of (Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne?
(Z)-but-2-ene;ethane;(E)-oct-4-en-1-yne has a molecular weight of 194.36 g/mol, XLogP of 4.97, 3 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;(E)-oct-4-en-1-yne is sourced from PubChem (CID 143339409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).