cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol

C11H20O2 — CID 101022877

IUPACcyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)=C1CCCCC1
InChIInChI=1S/C11H20O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h12H,4-8H2,1-3H3
InChIKeyXYDFOUXFEZPCOL-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.54
Rot. Bonds1

About cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol

cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 101022877) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Namecyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID101022877
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namecyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)=C1CCCCC1
InChIInChI=1S/C11H20O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h12H,4-8H2,1-3H3
InChIKeyXYDFOUXFEZPCOL-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.54
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-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol (CID 101022877) is cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)=C1CCCCC1.
What is the InChIKey of cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is XYDFOUXFEZPCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h12H,4-8H2,1-3H3.
What are the key properties of cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol?
cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 184.28 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 101022877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).