(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane

C16H36 — CID 144526797

IUPAC(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane
SMILESC=C(C)CC/C(C)=C\C.CC.CC.CCC
InChIInChI=1S/C9H16.C3H8.2C2H6/c1-5-9(4)7-6-8(2)3;1-3-2;2*1-2/h5H,2,6-7H2,1,3-4H3;3H2,1-2H3;2*1-2H3/b9-5-;;;
InChIKeyPKETYPHLYQTKBR-WNRDOTPUSA-N
MW228.46 g/mol
LogP6.78
Rot. Bonds3

About (5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane

(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane (PubChem CID 144526797) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is (5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane.

Molecular Properties

Compound Name(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane
PubChem CID144526797
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Name(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane
SMILESC=C(C)CC/C(C)=C\C.CC.CC.CCC
InChIInChI=1S/C9H16.C3H8.2C2H6/c1-5-9(4)7-6-8(2)3;1-3-2;2*1-2/h5H,2,6-7H2,1,3-4H3;3H2,1-2H3;2*1-2H3/b9-5-;;;
InChIKeyPKETYPHLYQTKBR-WNRDOTPUSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane?
The IUPAC name of (5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane (CID 144526797) is (5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane.
What is the SMILES notation for (5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane?
The canonical SMILES for (5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane is C=C(C)CC/C(C)=C\C.CC.CC.CCC.
What is the InChIKey of (5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane?
The InChIKey is PKETYPHLYQTKBR-WNRDOTPUSA-N. The full InChI is InChI=1S/C9H16.C3H8.2C2H6/c1-5-9(4)7-6-8(2)3;1-3-2;2*1-2/h5H,2,6-7H2,1,3-4H3;3H2,1-2H3;2*1-2H3/b9-5-;;;.
What are the key properties of (5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane?
(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane has a molecular weight of 228.46 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane is sourced from PubChem (CID 144526797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).