4-methoxy-2-methylundec-1-ene

C13H26O — CID 162400851

IUPAC4-methoxy-2-methylundec-1-ene
SMILESC=C(C)CC(CCCCCCC)OC
InChIInChI=1S/C13H26O/c1-5-6-7-8-9-10-13(14-4)11-12(2)3/h13H,2,5-11H2,1,3-4H3
InChIKeyQZBRWWJXBDBKSW-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.33
Rot. Bonds9

About 4-methoxy-2-methylundec-1-ene

4-methoxy-2-methylundec-1-ene (PubChem CID 162400851) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-methoxy-2-methylundec-1-ene.

Molecular Properties

Compound Name4-methoxy-2-methylundec-1-ene
PubChem CID162400851
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-methoxy-2-methylundec-1-ene
SMILESC=C(C)CC(CCCCCCC)OC
InChIInChI=1S/C13H26O/c1-5-6-7-8-9-10-13(14-4)11-12(2)3/h13H,2,5-11H2,1,3-4H3
InChIKeyQZBRWWJXBDBKSW-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.33
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

4-methoxyundecan-2-one
CID 14005013
(5S)-5-methoxyundecane
CID 118889956
3-methoxynonanoic acid
CID 139673009
4-methoxy-2-methyl-7-methylidenedec-1-ene
CID 123789719
(4S)-4-methoxyundecan-1-ol
CID 53329455
12-methoxyoctadecan-1-ol
CID 18347175
2,4-dimethylnon-1-ene
CID 55268908
9-methoxypentadecan-2-amine
CID 89335213
4-methoxy-2-methyltridecane
CID 150137637
4-methoxydodecanoic acid
CID 141170784
13-methoxyhenicosanoic acid
CID 15389271
4-methoxynon-1-ene
CID 13284925

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylundec-1-ene?
The IUPAC name of 4-methoxy-2-methylundec-1-ene (CID 162400851) is 4-methoxy-2-methylundec-1-ene.
What is the SMILES notation for 4-methoxy-2-methylundec-1-ene?
The canonical SMILES for 4-methoxy-2-methylundec-1-ene is C=C(C)CC(CCCCCCC)OC.
What is the InChIKey of 4-methoxy-2-methylundec-1-ene?
The InChIKey is QZBRWWJXBDBKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-6-7-8-9-10-13(14-4)11-12(2)3/h13H,2,5-11H2,1,3-4H3.
What are the key properties of 4-methoxy-2-methylundec-1-ene?
4-methoxy-2-methylundec-1-ene has a molecular weight of 198.35 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylundec-1-ene is sourced from PubChem (CID 162400851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).