3-(3-methoxypropoxy)cyclohexan-1-ol

C10H20O3 — CID 79619447

IUPAC3-(3-methoxypropoxy)cyclohexan-1-ol
SMILESCOCCCOC1CCCC(O)C1
InChIInChI=1S/C10H20O3/c1-12-6-3-7-13-10-5-2-4-9(11)8-10/h9-11H,2-8H2,1H3
InChIKeyFHCWZRFZCHGTSV-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.34
Rot. Bonds5

About 3-(3-methoxypropoxy)cyclohexan-1-ol

3-(3-methoxypropoxy)cyclohexan-1-ol (PubChem CID 79619447) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(3-methoxypropoxy)cyclohexan-1-ol
PubChem CID79619447
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-(3-methoxypropoxy)cyclohexan-1-ol
SMILESCOCCCOC1CCCC(O)C1
InChIInChI=1S/C10H20O3/c1-12-6-3-7-13-10-5-2-4-9(11)8-10/h9-11H,2-8H2,1H3
InChIKeyFHCWZRFZCHGTSV-UHFFFAOYSA-N
XLogP1.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)cyclohexan-1-ol?
The IUPAC name of 3-(3-methoxypropoxy)cyclohexan-1-ol (CID 79619447) is 3-(3-methoxypropoxy)cyclohexan-1-ol.
What is the SMILES notation for 3-(3-methoxypropoxy)cyclohexan-1-ol?
The canonical SMILES for 3-(3-methoxypropoxy)cyclohexan-1-ol is COCCCOC1CCCC(O)C1.
What is the InChIKey of 3-(3-methoxypropoxy)cyclohexan-1-ol?
The InChIKey is FHCWZRFZCHGTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-12-6-3-7-13-10-5-2-4-9(11)8-10/h9-11H,2-8H2,1H3.
What are the key properties of 3-(3-methoxypropoxy)cyclohexan-1-ol?
3-(3-methoxypropoxy)cyclohexan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)cyclohexan-1-ol is sourced from PubChem (CID 79619447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).