2-methyl-5-prop-1-enylnona-1,8-diene

C13H22 — CID 91203633

IUPAC2-methyl-5-prop-1-enylnona-1,8-diene
SMILESC=CCCC(C=CC)CCC(=C)C
InChIInChI=1S/C13H22/c1-5-7-9-13(8-6-2)11-10-12(3)4/h5-6,8,13H,1,3,7,9-11H2,2,4H3
InChIKeyCPKCUPZDGLRMDB-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.50
Rot. Bonds7

About 2-methyl-5-prop-1-enylnona-1,8-diene

2-methyl-5-prop-1-enylnona-1,8-diene (PubChem CID 91203633) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2-methyl-5-prop-1-enylnona-1,8-diene.

Molecular Properties

Compound Name2-methyl-5-prop-1-enylnona-1,8-diene
PubChem CID91203633
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2-methyl-5-prop-1-enylnona-1,8-diene
SMILESC=CCCC(C=CC)CCC(=C)C
InChIInChI=1S/C13H22/c1-5-7-9-13(8-6-2)11-10-12(3)4/h5-6,8,13H,1,3,7,9-11H2,2,4H3
InChIKeyCPKCUPZDGLRMDB-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.50
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 2-methyl-5-prop-1-enylnona-1,8-diene?
The IUPAC name of 2-methyl-5-prop-1-enylnona-1,8-diene (CID 91203633) is 2-methyl-5-prop-1-enylnona-1,8-diene.
What is the SMILES notation for 2-methyl-5-prop-1-enylnona-1,8-diene?
The canonical SMILES for 2-methyl-5-prop-1-enylnona-1,8-diene is C=CCCC(C=CC)CCC(=C)C.
What is the InChIKey of 2-methyl-5-prop-1-enylnona-1,8-diene?
The InChIKey is CPKCUPZDGLRMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-5-7-9-13(8-6-2)11-10-12(3)4/h5-6,8,13H,1,3,7,9-11H2,2,4H3.
What are the key properties of 2-methyl-5-prop-1-enylnona-1,8-diene?
2-methyl-5-prop-1-enylnona-1,8-diene has a molecular weight of 178.32 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-1-enylnona-1,8-diene is sourced from PubChem (CID 91203633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).