4,4-bis(propoxymethyl)hept-1-ene

C15H30O2 — CID 176894820

IUPAC4,4-bis(propoxymethyl)hept-1-ene
SMILESC=CCC(CCC)(COCCC)COCCC
InChIInChI=1S/C15H30O2/c1-5-9-15(10-6-2,13-16-11-7-3)14-17-12-8-4/h5H,1,6-14H2,2-4H3
InChIKeyYCXMCLDBHHBTHD-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.20
Rot. Bonds12

About 4,4-bis(propoxymethyl)hept-1-ene

4,4-bis(propoxymethyl)hept-1-ene (PubChem CID 176894820) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4,4-bis(propoxymethyl)hept-1-ene.

Molecular Properties

Compound Name4,4-bis(propoxymethyl)hept-1-ene
PubChem CID176894820
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4,4-bis(propoxymethyl)hept-1-ene
SMILESC=CCC(CCC)(COCCC)COCCC
InChIInChI=1S/C15H30O2/c1-5-9-15(10-6-2,13-16-11-7-3)14-17-12-8-4/h5H,1,6-14H2,2-4H3
InChIKeyYCXMCLDBHHBTHD-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(propoxymethyl)hept-1-ene?
The IUPAC name of 4,4-bis(propoxymethyl)hept-1-ene (CID 176894820) is 4,4-bis(propoxymethyl)hept-1-ene.
What is the SMILES notation for 4,4-bis(propoxymethyl)hept-1-ene?
The canonical SMILES for 4,4-bis(propoxymethyl)hept-1-ene is C=CCC(CCC)(COCCC)COCCC.
What is the InChIKey of 4,4-bis(propoxymethyl)hept-1-ene?
The InChIKey is YCXMCLDBHHBTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-9-15(10-6-2,13-16-11-7-3)14-17-12-8-4/h5H,1,6-14H2,2-4H3.
What are the key properties of 4,4-bis(propoxymethyl)hept-1-ene?
4,4-bis(propoxymethyl)hept-1-ene has a molecular weight of 242.40 g/mol, XLogP of 4.20, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(propoxymethyl)hept-1-ene is sourced from PubChem (CID 176894820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).