cyclohexylidene(pentan-3-yloxy)methanol

C12H22O2 — CID 15260092

IUPACcyclohexylidene(pentan-3-yloxy)methanol
SMILESCCC(CC)OC(O)=C1CCCCC1
InChIInChI=1S/C12H22O2/c1-3-11(4-2)14-12(13)10-8-6-5-7-9-10/h11,13H,3-9H2,1-2H3
InChIKeyJDQCEJRDCJTGTB-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.93
Rot. Bonds4

About cyclohexylidene(pentan-3-yloxy)methanol

cyclohexylidene(pentan-3-yloxy)methanol (PubChem CID 15260092) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is cyclohexylidene(pentan-3-yloxy)methanol.

Molecular Properties

Compound Namecyclohexylidene(pentan-3-yloxy)methanol
PubChem CID15260092
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namecyclohexylidene(pentan-3-yloxy)methanol
SMILESCCC(CC)OC(O)=C1CCCCC1
InChIInChI=1S/C12H22O2/c1-3-11(4-2)14-12(13)10-8-6-5-7-9-10/h11,13H,3-9H2,1-2H3
InChIKeyJDQCEJRDCJTGTB-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexylidene(pentan-3-yloxy)methanol?
The IUPAC name of cyclohexylidene(pentan-3-yloxy)methanol (CID 15260092) is cyclohexylidene(pentan-3-yloxy)methanol.
What is the SMILES notation for cyclohexylidene(pentan-3-yloxy)methanol?
The canonical SMILES for cyclohexylidene(pentan-3-yloxy)methanol is CCC(CC)OC(O)=C1CCCCC1.
What is the InChIKey of cyclohexylidene(pentan-3-yloxy)methanol?
The InChIKey is JDQCEJRDCJTGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-11(4-2)14-12(13)10-8-6-5-7-9-10/h11,13H,3-9H2,1-2H3.
What are the key properties of cyclohexylidene(pentan-3-yloxy)methanol?
cyclohexylidene(pentan-3-yloxy)methanol has a molecular weight of 198.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidene(pentan-3-yloxy)methanol is sourced from PubChem (CID 15260092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).