3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol

C12H24O2 — CID 91497965

IUPAC3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol
SMILESCCC(O)(CC)OC(C)(C)CC1CC1
InChIInChI=1S/C12H24O2/c1-5-12(13,6-2)14-11(3,4)9-10-7-8-10/h10,13H,5-9H2,1-4H3
InChIKeyJCADDDZLYAVFLJ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.09
Rot. Bonds6

About 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol

3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol (PubChem CID 91497965) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol.

Molecular Properties

Compound Name3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol
PubChem CID91497965
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol
SMILESCCC(O)(CC)OC(C)(C)CC1CC1
InChIInChI=1S/C12H24O2/c1-5-12(13,6-2)14-11(3,4)9-10-7-8-10/h10,13H,5-9H2,1-4H3
InChIKeyJCADDDZLYAVFLJ-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol?
The IUPAC name of 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol (CID 91497965) is 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol.
What is the SMILES notation for 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol?
The canonical SMILES for 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol is CCC(O)(CC)OC(C)(C)CC1CC1.
What is the InChIKey of 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol?
The InChIKey is JCADDDZLYAVFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-12(13,6-2)14-11(3,4)9-10-7-8-10/h10,13H,5-9H2,1-4H3.
What are the key properties of 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol?
3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol has a molecular weight of 200.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-2-methylpropan-2-yl)oxypentan-3-ol is sourced from PubChem (CID 91497965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).