ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene

C16H28 — CID 144627723

IUPACethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene
SMILESC=C/C(C)=C(C=C)/C(=C\C)CC(C)C.CC
InChIInChI=1S/C14H22.C2H6/c1-7-12(6)14(9-3)13(8-2)10-11(4)5;1-2/h7-9,11H,1,3,10H2,2,4-6H3;1-2H3/b13-8-,14-12+;
InChIKeySKGQSJKGTWETMX-CVORGUQQSA-N
MW220.40 g/mol
LogP5.69
Rot. Bonds5

About ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene

ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene (PubChem CID 144627723) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene.

Molecular Properties

Compound Nameethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene
PubChem CID144627723
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nameethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene
SMILESC=C/C(C)=C(C=C)/C(=C\C)CC(C)C.CC
InChIInChI=1S/C14H22.C2H6/c1-7-12(6)14(9-3)13(8-2)10-11(4)5;1-2/h7-9,11H,1,3,10H2,2,4-6H3;1-2H3/b13-8-,14-12+;
InChIKeySKGQSJKGTWETMX-CVORGUQQSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
CID 142238134
2,4-dimethylpent-1-ene;ethane
CID 143336990
4-ethylidene-2,6-dimethylheptane
CID 102206987
(3Z,5Z)-2,5-dimethyl-4-(2-methylpropyl)hepta-1,3,5-triene
CID 164881280
(2Z)-2-ethylidene-4-methylpentanamide
CID 55290793
(3E)-N-ethyl-3,6-dimethyl-N-propan-2-ylhepta-1,3-dien-4-amine
CID 129213118
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane
CID 143773644
5-methyl-N-prop-1-en-2-ylhex-1-en-3-imine
CID 145061781
ethane;(3Z)-4-ethyl-3,5,8-trimethylnona-1,3-diene
CID 143345850
(3E,5Z)-3,5-dimethyl-N-(4-methylpentyl)-N-propylhepta-1,3,5-trien-4-amine
CID 144845833
3,4-dimethylpenta-1,3-diene
CID 6713443

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene?
The IUPAC name of ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene (CID 144627723) is ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene.
What is the SMILES notation for ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene?
The canonical SMILES for ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene is C=C/C(C)=C(C=C)/C(=C\C)CC(C)C.CC.
What is the InChIKey of ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene?
The InChIKey is SKGQSJKGTWETMX-CVORGUQQSA-N. The full InChI is InChI=1S/C14H22.C2H6/c1-7-12(6)14(9-3)13(8-2)10-11(4)5;1-2/h7-9,11H,1,3,10H2,2,4-6H3;1-2H3/b13-8-,14-12+;.
What are the key properties of ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene?
ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene has a molecular weight of 220.40 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-4-ethenyl-5-ethylidene-3,7-dimethylocta-1,3-diene is sourced from PubChem (CID 144627723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).