4-propylhepta-1,6-diene

C10H18 — CID 56619945

IUPAC4-propylhepta-1,6-diene
SMILESC=CCC(CC=C)CCC
InChIInChI=1S/C10H18/c1-4-7-10(8-5-2)9-6-3/h4-5,10H,1-2,6-9H2,3H3
InChIKeyCENDUEAIHVMWSP-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds6

About 4-propylhepta-1,6-diene

4-propylhepta-1,6-diene (PubChem CID 56619945) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 4-propylhepta-1,6-diene.

Molecular Properties

Compound Name4-propylhepta-1,6-diene
PubChem CID56619945
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name4-propylhepta-1,6-diene
SMILESC=CCC(CC=C)CCC
InChIInChI=1S/C10H18/c1-4-7-10(8-5-2)9-6-3/h4-5,10H,1-2,6-9H2,3H3
InChIKeyCENDUEAIHVMWSP-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.55
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 4-propylhepta-1,6-diene?
The IUPAC name of 4-propylhepta-1,6-diene (CID 56619945) is 4-propylhepta-1,6-diene.
What is the SMILES notation for 4-propylhepta-1,6-diene?
The canonical SMILES for 4-propylhepta-1,6-diene is C=CCC(CC=C)CCC.
What is the InChIKey of 4-propylhepta-1,6-diene?
The InChIKey is CENDUEAIHVMWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-7-10(8-5-2)9-6-3/h4-5,10H,1-2,6-9H2,3H3.
What are the key properties of 4-propylhepta-1,6-diene?
4-propylhepta-1,6-diene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylhepta-1,6-diene is sourced from PubChem (CID 56619945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).