5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol

C15H28O3 — CID 139762502

IUPAC5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
SMILESCOC(OC)C1CCC=C(CCCC(C)(C)O)C1
InChIInChI=1S/C15H28O3/c1-15(2,16)10-6-8-12-7-5-9-13(11-12)14(17-3)18-4/h7,13-14,16H,5-6,8-11H2,1-4H3
InChIKeyTUYWWFLTNAJSHR-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.27
Rot. Bonds7

About 5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol

5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol (PubChem CID 139762502) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
PubChem CID139762502
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
SMILESCOC(OC)C1CCC=C(CCCC(C)(C)O)C1
InChIInChI=1S/C15H28O3/c1-15(2,16)10-6-8-12-7-5-9-13(11-12)14(17-3)18-4/h7,13-14,16H,5-6,8-11H2,1-4H3
InChIKeyTUYWWFLTNAJSHR-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol?
The IUPAC name of 5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol (CID 139762502) is 5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol.
What is the SMILES notation for 5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol?
The canonical SMILES for 5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol is COC(OC)C1CCC=C(CCCC(C)(C)O)C1.
What is the InChIKey of 5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol?
The InChIKey is TUYWWFLTNAJSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-15(2,16)10-6-8-12-7-5-9-13(11-12)14(17-3)18-4/h7,13-14,16H,5-6,8-11H2,1-4H3.
What are the key properties of 5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol?
5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol is sourced from PubChem (CID 139762502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).