3-methoxy-3-methyldodec-1-ene

C14H28O — CID 102028733

IUPAC3-methoxy-3-methyldodec-1-ene
SMILESC=CC(C)(CCCCCCCCC)OC
InChIInChI=1S/C14H28O/c1-5-7-8-9-10-11-12-13-14(3,6-2)15-4/h6H,2,5,7-13H2,1,3-4H3
InChIKeyVAHMKVYBPVNRBM-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.72
Rot. Bonds10

About 3-methoxy-3-methyldodec-1-ene

3-methoxy-3-methyldodec-1-ene (PubChem CID 102028733) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-methoxy-3-methyldodec-1-ene.

Molecular Properties

Compound Name3-methoxy-3-methyldodec-1-ene
PubChem CID102028733
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3-methoxy-3-methyldodec-1-ene
SMILESC=CC(C)(CCCCCCCCC)OC
InChIInChI=1S/C14H28O/c1-5-7-8-9-10-11-12-13-14(3,6-2)15-4/h6H,2,5,7-13H2,1,3-4H3
InChIKeyVAHMKVYBPVNRBM-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethenyl-1-methoxycyclohexane
CID 12552365
2-Ethenyl-2-hexyloxirane
CID 57702305
2-Ethenyl-2-nonyloxirane
CID 11148283
1-Ethenyl-1-methoxycycloheptane
CID 12148219
Dilithium;3-methoxypenta-1,4-dien-3-ylcyclohexane
CID 12506200
2-Methyl-3-prop-2-enoxy-3-prop-1-en-2-ylundec-1-ene
CID 15361421
3-Ethenyl-3-prop-2-enoxyundec-1-ene
CID 15361423
2-Ethenyl-2-hexyloxetane
CID 102530736
Amylvinyl-n-propylather
CID 129649311
(2R)-2-ethenyl-2-hexyloxirane
CID 154718439
3-Methoxy-2,3-dimethylundec-1-ene
CID 155803303
(2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane
CID 101411288

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyldodec-1-ene?
The IUPAC name of 3-methoxy-3-methyldodec-1-ene (CID 102028733) is 3-methoxy-3-methyldodec-1-ene.
What is the SMILES notation for 3-methoxy-3-methyldodec-1-ene?
The canonical SMILES for 3-methoxy-3-methyldodec-1-ene is C=CC(C)(CCCCCCCCC)OC.
What is the InChIKey of 3-methoxy-3-methyldodec-1-ene?
The InChIKey is VAHMKVYBPVNRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-7-8-9-10-11-12-13-14(3,6-2)15-4/h6H,2,5,7-13H2,1,3-4H3.
What are the key properties of 3-methoxy-3-methyldodec-1-ene?
3-methoxy-3-methyldodec-1-ene has a molecular weight of 212.38 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyldodec-1-ene is sourced from PubChem (CID 102028733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).