(5S)-5-methoxyundecane

C12H26O — CID 118889956

IUPAC(5S)-5-methoxyundecane
SMILESCCCCCC[C@H](CCCC)OC
InChIInChI=1S/C12H26O/c1-4-6-8-9-11-12(13-3)10-7-5-2/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyOUCWPBCSURGMLZ-LBPRGKRZSA-N
MW186.34 g/mol
LogP4.16
Rot. Bonds9

About (5S)-5-methoxyundecane

(5S)-5-methoxyundecane (PubChem CID 118889956) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is (5S)-5-methoxyundecane.

Molecular Properties

Compound Name(5S)-5-methoxyundecane
PubChem CID118889956
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name(5S)-5-methoxyundecane
SMILESCCCCCC[C@H](CCCC)OC
InChIInChI=1S/C12H26O/c1-4-6-8-9-11-12(13-3)10-7-5-2/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyOUCWPBCSURGMLZ-LBPRGKRZSA-N
XLogP4.16
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 ≤ 54.16
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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9-methoxypentadecan-2-amine
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4-methoxy-2-methyltridecane
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1,1,1-trifluoro-4-methoxytridecane
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(4S)-4-methoxyheptadec-1-yne
CID 11558040
(3S)-3-methoxydecanal
CID 58437054
16-tetratriacontan-16-yloxytetratriacontane
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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methoxyundecane?
The IUPAC name of (5S)-5-methoxyundecane (CID 118889956) is (5S)-5-methoxyundecane.
What is the SMILES notation for (5S)-5-methoxyundecane?
The canonical SMILES for (5S)-5-methoxyundecane is CCCCCC[C@H](CCCC)OC.
What is the InChIKey of (5S)-5-methoxyundecane?
The InChIKey is OUCWPBCSURGMLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26O/c1-4-6-8-9-11-12(13-3)10-7-5-2/h12H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (5S)-5-methoxyundecane?
(5S)-5-methoxyundecane has a molecular weight of 186.34 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methoxyundecane is sourced from PubChem (CID 118889956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).