(E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene

C14H28O2 — CID 134979482

IUPAC(E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene
SMILESCCCCC/C=C/C(OCOC)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-6-7-8-9-10-11-13(14(2,3)4)16-12-15-5/h10-11,13H,6-9,12H2,1-5H3/b11-10+
InChIKeyFLKCRJJFSLHDSH-ZHACJKMWSA-N
MW228.38 g/mol
LogP4.16
Rot. Bonds8

About (E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene

(E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene (PubChem CID 134979482) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene.

Molecular Properties

Compound Name(E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene
PubChem CID134979482
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene
SMILESCCCCC/C=C/C(OCOC)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-6-7-8-9-10-11-13(14(2,3)4)16-12-15-5/h10-11,13H,6-9,12H2,1-5H3/b11-10+
InChIKeyFLKCRJJFSLHDSH-ZHACJKMWSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.16
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 (E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene?
The IUPAC name of (E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene (CID 134979482) is (E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene.
What is the SMILES notation for (E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene?
The canonical SMILES for (E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene is CCCCC/C=C/C(OCOC)C(C)(C)C.
What is the InChIKey of (E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene?
The InChIKey is FLKCRJJFSLHDSH-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-7-8-9-10-11-13(14(2,3)4)16-12-15-5/h10-11,13H,6-9,12H2,1-5H3/b11-10+.
What are the key properties of (E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene?
(E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene has a molecular weight of 228.38 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(methoxymethoxy)-2,2-dimethyldec-4-ene is sourced from PubChem (CID 134979482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).