3-(ethoxymethyl)-2,4-dimethylpentan-3-ol

C10H22O2 — CID 71344344

IUPAC3-(ethoxymethyl)-2,4-dimethylpentan-3-ol
SMILESCCOCC(O)(C(C)C)C(C)C
InChIInChI=1S/C10H22O2/c1-6-12-7-10(11,8(2)3)9(4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyVIKDTCYWNBUVRF-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.07
Rot. Bonds5

About 3-(ethoxymethyl)-2,4-dimethylpentan-3-ol

3-(ethoxymethyl)-2,4-dimethylpentan-3-ol (PubChem CID 71344344) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name3-(ethoxymethyl)-2,4-dimethylpentan-3-ol
PubChem CID71344344
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-(ethoxymethyl)-2,4-dimethylpentan-3-ol
SMILESCCOCC(O)(C(C)C)C(C)C
InChIInChI=1S/C10H22O2/c1-6-12-7-10(11,8(2)3)9(4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyVIKDTCYWNBUVRF-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-2,4-dimethylpentan-3-ol?
The IUPAC name of 3-(ethoxymethyl)-2,4-dimethylpentan-3-ol (CID 71344344) is 3-(ethoxymethyl)-2,4-dimethylpentan-3-ol.
What is the SMILES notation for 3-(ethoxymethyl)-2,4-dimethylpentan-3-ol?
The canonical SMILES for 3-(ethoxymethyl)-2,4-dimethylpentan-3-ol is CCOCC(O)(C(C)C)C(C)C.
What is the InChIKey of 3-(ethoxymethyl)-2,4-dimethylpentan-3-ol?
The InChIKey is VIKDTCYWNBUVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-12-7-10(11,8(2)3)9(4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 3-(ethoxymethyl)-2,4-dimethylpentan-3-ol?
3-(ethoxymethyl)-2,4-dimethylpentan-3-ol has a molecular weight of 174.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 71344344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).