1,11-dimethoxy-2-methylundecane

C14H30O2 — CID 118982395

IUPAC1,11-dimethoxy-2-methylundecane
SMILESCOCCCCCCCCCC(C)COC
InChIInChI=1S/C14H30O2/c1-14(13-16-3)11-9-7-5-4-6-8-10-12-15-2/h14H,4-13H2,1-3H3
InChIKeyPKIZZWMYYCDNGU-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.04
Rot. Bonds12

About 1,11-dimethoxy-2-methylundecane

1,11-dimethoxy-2-methylundecane (PubChem CID 118982395) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1,11-dimethoxy-2-methylundecane.

Molecular Properties

Compound Name1,11-dimethoxy-2-methylundecane
PubChem CID118982395
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1,11-dimethoxy-2-methylundecane
SMILESCOCCCCCCCCCC(C)COC
InChIInChI=1S/C14H30O2/c1-14(13-16-3)11-9-7-5-4-6-8-10-12-15-2/h14H,4-13H2,1-3H3
InChIKeyPKIZZWMYYCDNGU-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 155293079
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CID 86173032
1-methoxy-2-methyldecane
CID 13444249
1-methoxy-2,12-dimethyldocosane
CID 91752253
1-methoxy-2,10,24-trimethylheptacosane
CID 86172880
6-methoxy-2-methylhexan-1-amine
CID 64666005
7-methoxy-2-methyl-N-propan-2-ylheptan-1-amine
CID 104650066
methane;7-methoxyheptan-2-ol
CID 158258066
1-methoxy-3,10-dimethylundecane
CID 154134706
8-methoxy-2-methyloctan-3-amine
CID 64504624
1-methoxy-15-methyl-18-methylideneicosane
CID 142269922
1-methoxy-4,8-dimethylnonane
CID 90974533

Frequently Asked Questions

What is the IUPAC name of 1,11-dimethoxy-2-methylundecane?
The IUPAC name of 1,11-dimethoxy-2-methylundecane (CID 118982395) is 1,11-dimethoxy-2-methylundecane.
What is the SMILES notation for 1,11-dimethoxy-2-methylundecane?
The canonical SMILES for 1,11-dimethoxy-2-methylundecane is COCCCCCCCCCC(C)COC.
What is the InChIKey of 1,11-dimethoxy-2-methylundecane?
The InChIKey is PKIZZWMYYCDNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-14(13-16-3)11-9-7-5-4-6-8-10-12-15-2/h14H,4-13H2,1-3H3.
What are the key properties of 1,11-dimethoxy-2-methylundecane?
1,11-dimethoxy-2-methylundecane has a molecular weight of 230.39 g/mol, XLogP of 4.04, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dimethoxy-2-methylundecane is sourced from PubChem (CID 118982395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).