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

C11H22O2 — CID 176894764

IUPAC4,4-bis(methoxymethyl)hept-1-ene
SMILESC=CCC(CCC)(COC)COC
InChIInChI=1S/C11H22O2/c1-5-7-11(8-6-2,9-12-3)10-13-4/h5H,1,6-10H2,2-4H3
InChIKeyWKFNBGXSDXLHBH-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.64
Rot. Bonds8

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

4,4-bis(methoxymethyl)hept-1-ene (PubChem CID 176894764) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4,4-bis(methoxymethyl)hept-1-ene.

Molecular Properties

Compound Name4,4-bis(methoxymethyl)hept-1-ene
PubChem CID176894764
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4,4-bis(methoxymethyl)hept-1-ene
SMILESC=CCC(CCC)(COC)COC
InChIInChI=1S/C11H22O2/c1-5-7-11(8-6-2,9-12-3)10-13-4/h5H,1,6-10H2,2-4H3
InChIKeyWKFNBGXSDXLHBH-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Bis(methoxymethyl)-1,6-heptadiene
CID 11074076
1,1-Bis(methoxymethyl)-2-vinylcyclopropane
CID 85748038
4,4-Bis(vinyloxymethyl)cyclohexene
CID 89106982
4,4-Bis(ethoxymethyl)-1,6-heptadiene
CID 102449668
4,4-Bis(methoxymethyl)-5-methylhex-1-ene
CID 138966360
5-Ethyl-4,4-difluoro-5-(methoxymethyl)hept-1-ene
CID 88361664
4,4-Bis(methoxymethyl)oct-1-en-6-yne
CID 101229212
Di(3,3-dimethylhex-5-enyl) peroxide
CID 129828977
5,5-Bis(methoxymethyl)-7-methylocta-1,2,7-triene
CID 135079904
5-Methoxy-4-(methoxymethyl)-4-methylpent-1-ene
CID 10855749
2-(2-Methylprop-2-enyl)-2-prop-2-enylpropane-1,3-diol
CID 14763745
5,5-Bis(methoxymethyl)-2,7-dimethyloct-2-ene
CID 19985322

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(methoxymethyl)hept-1-ene?
The IUPAC name of 4,4-bis(methoxymethyl)hept-1-ene (CID 176894764) is 4,4-bis(methoxymethyl)hept-1-ene.
What is the SMILES notation for 4,4-bis(methoxymethyl)hept-1-ene?
The canonical SMILES for 4,4-bis(methoxymethyl)hept-1-ene is C=CCC(CCC)(COC)COC.
What is the InChIKey of 4,4-bis(methoxymethyl)hept-1-ene?
The InChIKey is WKFNBGXSDXLHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-7-11(8-6-2,9-12-3)10-13-4/h5H,1,6-10H2,2-4H3.
What are the key properties of 4,4-bis(methoxymethyl)hept-1-ene?
4,4-bis(methoxymethyl)hept-1-ene has a molecular weight of 186.29 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methoxymethyl)hept-1-ene is sourced from PubChem (CID 176894764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).