7-methoxynonan-1-ol

C10H22O2 — CID 91306225

IUPAC7-methoxynonan-1-ol
SMILESCCC(CCCCCCO)OC
InChIInChI=1S/C10H22O2/c1-3-10(12-2)8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3
InChIKeyTVTVFCVGCNPTHX-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.35
Rot. Bonds8

About 7-methoxynonan-1-ol

7-methoxynonan-1-ol (PubChem CID 91306225) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 7-methoxynonan-1-ol.

Molecular Properties

Compound Name7-methoxynonan-1-ol
PubChem CID91306225
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name7-methoxynonan-1-ol
SMILESCCC(CCCCCCO)OC
InChIInChI=1S/C10H22O2/c1-3-10(12-2)8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3
InChIKeyTVTVFCVGCNPTHX-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-methoxyoctadecan-1-ol
CID 18347175
2-methoxyoctadecane-1,18-diol
CID 139894208
(4S)-4-methoxyundecan-1-ol
CID 53329455
5-ethoxyheptan-1-ol
CID 15053038
8-hydroxyoctan-3-yl acetate
CID 101015615
12,12-dimethoxydodecan-1-ol
CID 71412944
[(3S)-7-hydroxyheptan-3-yl] nitrate
CID 59370631
10-ethyldodecan-1-ol
CID 18475243
(5S)-5-methoxyundecane
CID 118889956
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
3-methoxy-7-methylnonan-1-ol
CID 87272978
7-methoxynon-1-ene
CID 91435315

Frequently Asked Questions

What is the IUPAC name of 7-methoxynonan-1-ol?
The IUPAC name of 7-methoxynonan-1-ol (CID 91306225) is 7-methoxynonan-1-ol.
What is the SMILES notation for 7-methoxynonan-1-ol?
The canonical SMILES for 7-methoxynonan-1-ol is CCC(CCCCCCO)OC.
What is the InChIKey of 7-methoxynonan-1-ol?
The InChIKey is TVTVFCVGCNPTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-3-10(12-2)8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 7-methoxynonan-1-ol?
7-methoxynonan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxynonan-1-ol is sourced from PubChem (CID 91306225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).