(E)-5-methoxy-3-methylnon-2-en-1-ol

C11H22O2 — CID 87272629

IUPAC(E)-5-methoxy-3-methylnon-2-en-1-ol
SMILESCCCCC(C/C(C)=C/CO)OC
InChIInChI=1S/C11H22O2/c1-4-5-6-11(13-3)9-10(2)7-8-12/h7,11-12H,4-6,8-9H2,1-3H3/b10-7+
InChIKeyALARGUONXYWSBO-JXMROGBWSA-N
MW186.29 g/mol
LogP2.52
Rot. Bonds7

About (E)-5-methoxy-3-methylnon-2-en-1-ol

(E)-5-methoxy-3-methylnon-2-en-1-ol (PubChem CID 87272629) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (E)-5-methoxy-3-methylnon-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-methoxy-3-methylnon-2-en-1-ol
PubChem CID87272629
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(E)-5-methoxy-3-methylnon-2-en-1-ol
SMILESCCCCC(C/C(C)=C/CO)OC
InChIInChI=1S/C11H22O2/c1-4-5-6-11(13-3)9-10(2)7-8-12/h7,11-12H,4-6,8-9H2,1-3H3/b10-7+
InChIKeyALARGUONXYWSBO-JXMROGBWSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.52
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

2-methoxyhexan-1-ol
CID 12754599
acetic acid;2-methoxyhexan-1-ol
CID 71318556
(E,5R)-3-methyloct-2-ene-1,5-diol
CID 163319747
(5S)-5-methoxyundecane
CID 118889956
4-methoxy-2-methylundec-1-ene
CID 162400851
4-methoxyundecan-2-one
CID 14005013
5-methoxy-3-methyloct-2-enal
CID 91583504
(4S)-4-methoxyundecan-1-ol
CID 53329455
12-methoxyoctadecan-1-ol
CID 18347175
(7R)-7-methoxy-2-methylundecane
CID 118890177
3-methoxynonanoic acid
CID 139673009
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-3-methylnon-2-en-1-ol?
The IUPAC name of (E)-5-methoxy-3-methylnon-2-en-1-ol (CID 87272629) is (E)-5-methoxy-3-methylnon-2-en-1-ol.
What is the SMILES notation for (E)-5-methoxy-3-methylnon-2-en-1-ol?
The canonical SMILES for (E)-5-methoxy-3-methylnon-2-en-1-ol is CCCCC(C/C(C)=C/CO)OC.
What is the InChIKey of (E)-5-methoxy-3-methylnon-2-en-1-ol?
The InChIKey is ALARGUONXYWSBO-JXMROGBWSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-5-6-11(13-3)9-10(2)7-8-12/h7,11-12H,4-6,8-9H2,1-3H3/b10-7+.
What are the key properties of (E)-5-methoxy-3-methylnon-2-en-1-ol?
(E)-5-methoxy-3-methylnon-2-en-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-3-methylnon-2-en-1-ol is sourced from PubChem (CID 87272629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).