1-methoxy-2-methyldecane

C12H26O — CID 13444249

IUPAC1-methoxy-2-methyldecane
SMILESCCCCCCCCC(C)COC
InChIInChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2)11-13-3/h12H,4-11H2,1-3H3
InChIKeyQVKRPNXOOTVHBV-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds9

About 1-methoxy-2-methyldecane

1-methoxy-2-methyldecane (PubChem CID 13444249) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-methoxy-2-methyldecane.

Molecular Properties

Compound Name1-methoxy-2-methyldecane
PubChem CID13444249
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name1-methoxy-2-methyldecane
SMILESCCCCCCCCC(C)COC
InChIInChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2)11-13-3/h12H,4-11H2,1-3H3
InChIKeyQVKRPNXOOTVHBV-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
1-methoxy-2,22-dimethyltetracosane
CID 86173032
2-(3-methoxy-2-methylpropoxy)undecane
CID 89261106
1,11-dimethoxy-2-methylundecane
CID 118982395
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107
7,13-dimethylnonatriacontane
CID 91752073

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyldecane?
The IUPAC name of 1-methoxy-2-methyldecane (CID 13444249) is 1-methoxy-2-methyldecane.
What is the SMILES notation for 1-methoxy-2-methyldecane?
The canonical SMILES for 1-methoxy-2-methyldecane is CCCCCCCCC(C)COC.
What is the InChIKey of 1-methoxy-2-methyldecane?
The InChIKey is QVKRPNXOOTVHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-4-5-6-7-8-9-10-12(2)11-13-3/h12H,4-11H2,1-3H3.
What are the key properties of 1-methoxy-2-methyldecane?
1-methoxy-2-methyldecane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyldecane is sourced from PubChem (CID 13444249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).