(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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Related Compounds

2-chloro-5-methylhepta-1,5-diene
CID 123504902
(1Z)-2,5-dimethylhexa-1,5-dien-1-amine
CID 145123589
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
dichloroplatinum;2,5-dimethylhexa-1,5-diene
CID 161462927
ethane;3-methylpent-2-ene;propane
CID 144514263
(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene
CID 145317472
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
ethane;(E)-3-methylpent-2-ene
CID 144523626
2,8-dimethyl-5-methylidenenona-1,8-diene
CID 91474850
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511

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).