5-methyl-4,4-bis(propoxymethyl)hex-1-ene

C15H30O2 — CID 176894831

IUPAC5-methyl-4,4-bis(propoxymethyl)hex-1-ene
SMILESC=CCC(COCCC)(COCCC)C(C)C
InChIInChI=1S/C15H30O2/c1-6-9-15(14(4)5,12-16-10-7-2)13-17-11-8-3/h6,14H,1,7-13H2,2-5H3
InChIKeyOCWHLZPBWNYVCT-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.06
Rot. Bonds11

About 5-methyl-4,4-bis(propoxymethyl)hex-1-ene

5-methyl-4,4-bis(propoxymethyl)hex-1-ene (PubChem CID 176894831) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 5-methyl-4,4-bis(propoxymethyl)hex-1-ene.

Molecular Properties

Compound Name5-methyl-4,4-bis(propoxymethyl)hex-1-ene
PubChem CID176894831
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name5-methyl-4,4-bis(propoxymethyl)hex-1-ene
SMILESC=CCC(COCCC)(COCCC)C(C)C
InChIInChI=1S/C15H30O2/c1-6-9-15(14(4)5,12-16-10-7-2)13-17-11-8-3/h6,14H,1,7-13H2,2-5H3
InChIKeyOCWHLZPBWNYVCT-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.06
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 5-methyl-4,4-bis(propoxymethyl)hex-1-ene?
The IUPAC name of 5-methyl-4,4-bis(propoxymethyl)hex-1-ene (CID 176894831) is 5-methyl-4,4-bis(propoxymethyl)hex-1-ene.
What is the SMILES notation for 5-methyl-4,4-bis(propoxymethyl)hex-1-ene?
The canonical SMILES for 5-methyl-4,4-bis(propoxymethyl)hex-1-ene is C=CCC(COCCC)(COCCC)C(C)C.
What is the InChIKey of 5-methyl-4,4-bis(propoxymethyl)hex-1-ene?
The InChIKey is OCWHLZPBWNYVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-9-15(14(4)5,12-16-10-7-2)13-17-11-8-3/h6,14H,1,7-13H2,2-5H3.
What are the key properties of 5-methyl-4,4-bis(propoxymethyl)hex-1-ene?
5-methyl-4,4-bis(propoxymethyl)hex-1-ene has a molecular weight of 242.40 g/mol, XLogP of 4.06, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,4-bis(propoxymethyl)hex-1-ene is sourced from PubChem (CID 176894831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).