4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene

C17H30O2 — CID 176894824

IUPAC4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene
SMILESC=CCC(CCC)(COCC(=C)C)COCC(=C)C
InChIInChI=1S/C17H30O2/c1-7-9-17(10-8-2,13-18-11-15(3)4)14-19-12-16(5)6/h7H,1,3,5,8-14H2,2,4,6H3
InChIKeyGINXIGVNWJOCLZ-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.53
Rot. Bonds12

About 4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene

4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene (PubChem CID 176894824) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene.

Molecular Properties

Compound Name4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene
PubChem CID176894824
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene
SMILESC=CCC(CCC)(COCC(=C)C)COCC(=C)C
InChIInChI=1S/C17H30O2/c1-7-9-17(10-8-2,13-18-11-15(3)4)14-19-12-16(5)6/h7H,1,3,5,8-14H2,2,4,6H3
InChIKeyGINXIGVNWJOCLZ-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene?
The IUPAC name of 4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene (CID 176894824) is 4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene.
What is the SMILES notation for 4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene?
The canonical SMILES for 4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene is C=CCC(CCC)(COCC(=C)C)COCC(=C)C.
What is the InChIKey of 4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene?
The InChIKey is GINXIGVNWJOCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-9-17(10-8-2,13-18-11-15(3)4)14-19-12-16(5)6/h7H,1,3,5,8-14H2,2,4,6H3.
What are the key properties of 4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene?
4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene has a molecular weight of 266.42 g/mol, XLogP of 4.53, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(2-methylprop-2-enoxymethyl)hept-1-ene is sourced from PubChem (CID 176894824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).