1-(methoxymethoxy)-11-methylheptadec-8-ene

C20H40O2 — CID 59978755

IUPAC1-(methoxymethoxy)-11-methylheptadec-8-ene
SMILESCCCCCCC(C)CC=CCCCCCCCOCOC
InChIInChI=1S/C20H40O2/c1-4-5-6-13-16-20(2)17-14-11-9-7-8-10-12-15-18-22-19-21-3/h11,14,20H,4-10,12-13,15-19H2,1-3H3
InChIKeyKMTOADXXNVWRGW-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.50
Rot. Bonds17

About 1-(methoxymethoxy)-11-methylheptadec-8-ene

1-(methoxymethoxy)-11-methylheptadec-8-ene (PubChem CID 59978755) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-(methoxymethoxy)-11-methylheptadec-8-ene.

Molecular Properties

Compound Name1-(methoxymethoxy)-11-methylheptadec-8-ene
PubChem CID59978755
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name1-(methoxymethoxy)-11-methylheptadec-8-ene
SMILESCCCCCCC(C)CC=CCCCCCCCOCOC
InChIInChI=1S/C20H40O2/c1-4-5-6-13-16-20(2)17-14-11-9-7-8-10-12-15-18-22-19-21-3/h11,14,20H,4-10,12-13,15-19H2,1-3H3
InChIKeyKMTOADXXNVWRGW-UHFFFAOYSA-N
XLogP6.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-11-methylheptadec-8-ene?
The IUPAC name of 1-(methoxymethoxy)-11-methylheptadec-8-ene (CID 59978755) is 1-(methoxymethoxy)-11-methylheptadec-8-ene.
What is the SMILES notation for 1-(methoxymethoxy)-11-methylheptadec-8-ene?
The canonical SMILES for 1-(methoxymethoxy)-11-methylheptadec-8-ene is CCCCCCC(C)CC=CCCCCCCCOCOC.
What is the InChIKey of 1-(methoxymethoxy)-11-methylheptadec-8-ene?
The InChIKey is KMTOADXXNVWRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-4-5-6-13-16-20(2)17-14-11-9-7-8-10-12-15-18-22-19-21-3/h11,14,20H,4-10,12-13,15-19H2,1-3H3.
What are the key properties of 1-(methoxymethoxy)-11-methylheptadec-8-ene?
1-(methoxymethoxy)-11-methylheptadec-8-ene has a molecular weight of 312.54 g/mol, XLogP of 6.50, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-11-methylheptadec-8-ene is sourced from PubChem (CID 59978755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).