3-methoxy-2,3-dimethylundec-1-ene

C14H28O — CID 155803303

IUPAC3-methoxy-2,3-dimethylundec-1-ene
SMILESC=C(C)C(C)(CCCCCCCC)OC
InChIInChI=1S/C14H28O/c1-6-7-8-9-10-11-12-14(4,15-5)13(2)3/h2,6-12H2,1,3-5H3
InChIKeyJUVQCDGKVQZXJY-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.72
Rot. Bonds9

About 3-methoxy-2,3-dimethylundec-1-ene

3-methoxy-2,3-dimethylundec-1-ene (PubChem CID 155803303) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-methoxy-2,3-dimethylundec-1-ene.

Molecular Properties

Compound Name3-methoxy-2,3-dimethylundec-1-ene
PubChem CID155803303
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3-methoxy-2,3-dimethylundec-1-ene
SMILESC=C(C)C(C)(CCCCCCCC)OC
InChIInChI=1S/C14H28O/c1-6-7-8-9-10-11-12-14(4,15-5)13(2)3/h2,6-12H2,1,3-5H3
InChIKeyJUVQCDGKVQZXJY-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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

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1,1,1-trimethoxytridecane
CID 102481821
3-methoxy-3-methyldodecane
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1,1,1-trimethoxy-2,2-dimethyldecane
CID 150575533
methyl 2-methoxy-2-methylhexanoate
CID 91619299
ethene;1,1,1-tris(prop-1-en-2-yloxy)decane
CID 159873481
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
methyl 3,3-dimethyl-2-methylidenenonadecanoate
CID 175497695
hexane;2-methoxy-2-methylpropane;propan-2-one
CID 88654255
2-methylhept-1-ene-3,3-diol
CID 57069877
5-methyl-5-(trimethoxymethyl)tridecane
CID 150316109

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,3-dimethylundec-1-ene?
The IUPAC name of 3-methoxy-2,3-dimethylundec-1-ene (CID 155803303) is 3-methoxy-2,3-dimethylundec-1-ene.
What is the SMILES notation for 3-methoxy-2,3-dimethylundec-1-ene?
The canonical SMILES for 3-methoxy-2,3-dimethylundec-1-ene is C=C(C)C(C)(CCCCCCCC)OC.
What is the InChIKey of 3-methoxy-2,3-dimethylundec-1-ene?
The InChIKey is JUVQCDGKVQZXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-7-8-9-10-11-12-14(4,15-5)13(2)3/h2,6-12H2,1,3-5H3.
What are the key properties of 3-methoxy-2,3-dimethylundec-1-ene?
3-methoxy-2,3-dimethylundec-1-ene has a molecular weight of 212.38 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,3-dimethylundec-1-ene is sourced from PubChem (CID 155803303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).