7-(methoxymethoxy)heptan-1-ol

C9H20O3 — CID 102354620

IUPAC7-(methoxymethoxy)heptan-1-ol
SMILESCOCOCCCCCCCO
InChIInChI=1S/C9H20O3/c1-11-9-12-8-6-4-2-3-5-7-10/h10H,2-9H2,1H3
InChIKeyHNQASXAWOORATH-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.55
Rot. Bonds9

About 7-(methoxymethoxy)heptan-1-ol

7-(methoxymethoxy)heptan-1-ol (PubChem CID 102354620) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 7-(methoxymethoxy)heptan-1-ol.

Molecular Properties

Compound Name7-(methoxymethoxy)heptan-1-ol
PubChem CID102354620
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name7-(methoxymethoxy)heptan-1-ol
SMILESCOCOCCCCCCCO
InChIInChI=1S/C9H20O3/c1-11-9-12-8-6-4-2-3-5-7-10/h10H,2-9H2,1H3
InChIKeyHNQASXAWOORATH-UHFFFAOYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
10-ethoxydecan-1-ol
CID 22412883
4-(ethoxymethoxymethoxy)butan-1-ol
CID 57011748
5-(hydroxymethoxy)pentan-1-ol
CID 54230707
8-hydroxyoctan-3-yl 6-(methoxymethoxy)hexanoate
CID 173212527
9-nonoxynonan-1-ol
CID 57318642
5-octoxypentan-1-ol
CID 22407981
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
1-(methoxymethoxy)-6-methylheptane
CID 54450331
methoxymethane;octane-1,8-diol
CID 175193596

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)heptan-1-ol?
The IUPAC name of 7-(methoxymethoxy)heptan-1-ol (CID 102354620) is 7-(methoxymethoxy)heptan-1-ol.
What is the SMILES notation for 7-(methoxymethoxy)heptan-1-ol?
The canonical SMILES for 7-(methoxymethoxy)heptan-1-ol is COCOCCCCCCCO.
What is the InChIKey of 7-(methoxymethoxy)heptan-1-ol?
The InChIKey is HNQASXAWOORATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-11-9-12-8-6-4-2-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of 7-(methoxymethoxy)heptan-1-ol?
7-(methoxymethoxy)heptan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)heptan-1-ol is sourced from PubChem (CID 102354620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).