2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol

C11H22O2 — CID 106931310

IUPAC2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)(CO)COCC1CC1
InChIInChI=1S/C11H22O2/c1-9(2)11(3,7-12)8-13-6-10-4-5-10/h9-10,12H,4-8H2,1-3H3
InChIKeyAOXSXSGWQVMFKB-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.07
Rot. Bonds6

About 2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol

2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol (PubChem CID 106931310) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol
PubChem CID106931310
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)(CO)COCC1CC1
InChIInChI=1S/C11H22O2/c1-9(2)11(3,7-12)8-13-6-10-4-5-10/h9-10,12H,4-8H2,1-3H3
InChIKeyAOXSXSGWQVMFKB-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol (CID 106931310) is 2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol is CC(C)C(C)(CO)COCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol?
The InChIKey is AOXSXSGWQVMFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)11(3,7-12)8-13-6-10-4-5-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol?
2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 106931310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).