3,4-dimethoxy-3-methyldodec-1-ene

C15H30O2 — CID 150421124

IUPAC3,4-dimethoxy-3-methyldodec-1-ene
SMILESC=CC(C)(OC)C(CCCCCCCC)OC
InChIInChI=1S/C15H30O2/c1-6-8-9-10-11-12-13-14(16-4)15(3,7-2)17-5/h7,14H,2,6,8-13H2,1,3-5H3
InChIKeyHHUMNKQVKNQEPI-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.34
Rot. Bonds11

About 3,4-dimethoxy-3-methyldodec-1-ene

3,4-dimethoxy-3-methyldodec-1-ene (PubChem CID 150421124) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 3,4-dimethoxy-3-methyldodec-1-ene.

Molecular Properties

Compound Name3,4-dimethoxy-3-methyldodec-1-ene
PubChem CID150421124
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name3,4-dimethoxy-3-methyldodec-1-ene
SMILESC=CC(C)(OC)C(CCCCCCCC)OC
InChIInChI=1S/C15H30O2/c1-6-8-9-10-11-12-13-14(16-4)15(3,7-2)17-5/h7,14H,2,6,8-13H2,1,3-5H3
InChIKeyHHUMNKQVKNQEPI-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
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 3,4-dimethoxy-3-methyldodec-1-ene?
The IUPAC name of 3,4-dimethoxy-3-methyldodec-1-ene (CID 150421124) is 3,4-dimethoxy-3-methyldodec-1-ene.
What is the SMILES notation for 3,4-dimethoxy-3-methyldodec-1-ene?
The canonical SMILES for 3,4-dimethoxy-3-methyldodec-1-ene is C=CC(C)(OC)C(CCCCCCCC)OC.
What is the InChIKey of 3,4-dimethoxy-3-methyldodec-1-ene?
The InChIKey is HHUMNKQVKNQEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-8-9-10-11-12-13-14(16-4)15(3,7-2)17-5/h7,14H,2,6,8-13H2,1,3-5H3.
What are the key properties of 3,4-dimethoxy-3-methyldodec-1-ene?
3,4-dimethoxy-3-methyldodec-1-ene has a molecular weight of 242.40 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-3-methyldodec-1-ene is sourced from PubChem (CID 150421124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).