(E)-5-methoxy-2,8-dimethylnon-2-en-1-ol

C12H24O2 — CID 87272421

IUPAC(E)-5-methoxy-2,8-dimethylnon-2-en-1-ol
SMILESCOC(C/C=C(\C)CO)CCC(C)C
InChIInChI=1S/C12H24O2/c1-10(2)5-7-12(14-4)8-6-11(3)9-13/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+
InChIKeyKYUVIFURMUQZAZ-IZZDOVSWSA-N
MW200.32 g/mol
LogP2.77
Rot. Bonds7

About (E)-5-methoxy-2,8-dimethylnon-2-en-1-ol

(E)-5-methoxy-2,8-dimethylnon-2-en-1-ol (PubChem CID 87272421) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (E)-5-methoxy-2,8-dimethylnon-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-methoxy-2,8-dimethylnon-2-en-1-ol
PubChem CID87272421
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(E)-5-methoxy-2,8-dimethylnon-2-en-1-ol
SMILESCOC(C/C=C(\C)CO)CCC(C)C
InChIInChI=1S/C12H24O2/c1-10(2)5-7-12(14-4)8-6-11(3)9-13/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+
InChIKeyKYUVIFURMUQZAZ-IZZDOVSWSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-methoxy-2,7-dimethylnon-2-en-1-ol
CID 87272716
3-methoxy-6-methylheptanal
CID 87292037
(E)-2,5-dimethylhept-2-en-1-ol
CID 88722720
5-methoxy-3,7-dimethyloct-2-en-1-ol
CID 90708771
(4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene
CID 139718586
5-methoxy-2-methyloct-2-enal
CID 90686162
5-methoxy-4,8-dimethylnon-3-ene
CID 54039577
(7-hydroxy-6-methylhept-5-en-2-yl) acetate
CID 165356951
(6R)-6-methoxy-2,2,12-trimethyltridecane
CID 118887775
(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
1,2,5,6-tetramethoxyhexane
CID 18679814
(2S)-2-methoxy-5-methylhexanoic acid
CID 158935693

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-2,8-dimethylnon-2-en-1-ol?
The IUPAC name of (E)-5-methoxy-2,8-dimethylnon-2-en-1-ol (CID 87272421) is (E)-5-methoxy-2,8-dimethylnon-2-en-1-ol.
What is the SMILES notation for (E)-5-methoxy-2,8-dimethylnon-2-en-1-ol?
The canonical SMILES for (E)-5-methoxy-2,8-dimethylnon-2-en-1-ol is COC(C/C=C(\C)CO)CCC(C)C.
What is the InChIKey of (E)-5-methoxy-2,8-dimethylnon-2-en-1-ol?
The InChIKey is KYUVIFURMUQZAZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)5-7-12(14-4)8-6-11(3)9-13/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+.
What are the key properties of (E)-5-methoxy-2,8-dimethylnon-2-en-1-ol?
(E)-5-methoxy-2,8-dimethylnon-2-en-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-2,8-dimethylnon-2-en-1-ol is sourced from PubChem (CID 87272421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).