[3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol

C10H20O3 — CID 13457366

IUPAC[3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol
SMILESCOC(CC1C(CO)C1(C)C)OC
InChIInChI=1S/C10H20O3/c1-10(2)7(8(10)6-11)5-9(12-3)13-4/h7-9,11H,5-6H2,1-4H3
InChIKeyIVFIVADDYKRLKE-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.26
Rot. Bonds5

About [3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol

[3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol (PubChem CID 13457366) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is [3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol
PubChem CID13457366
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name[3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol
SMILESCOC(CC1C(CO)C1(C)C)OC
InChIInChI=1S/C10H20O3/c1-10(2)7(8(10)6-11)5-9(12-3)13-4/h7-9,11H,5-6H2,1-4H3
InChIKeyIVFIVADDYKRLKE-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol?
The IUPAC name of [3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol (CID 13457366) is [3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol.
What is the SMILES notation for [3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol?
The canonical SMILES for [3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol is COC(CC1C(CO)C1(C)C)OC.
What is the InChIKey of [3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol?
The InChIKey is IVFIVADDYKRLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(2)7(8(10)6-11)5-9(12-3)13-4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of [3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol?
[3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol has a molecular weight of 188.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethoxyethyl)-2,2-dimethylcyclopropyl]methanol is sourced from PubChem (CID 13457366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).