4-(methoxymethyl)-4-methyloxan-3-ol

C8H16O3 — CID 167162275

IUPAC4-(methoxymethyl)-4-methyloxan-3-ol
SMILESCOCC1(C)CCOCC1O
InChIInChI=1S/C8H16O3/c1-8(6-10-2)3-4-11-5-7(8)9/h7,9H,3-6H2,1-2H3
InChIKeyMOHOCPIKECUKGV-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.42
Rot. Bonds2

About 4-(methoxymethyl)-4-methyloxan-3-ol

4-(methoxymethyl)-4-methyloxan-3-ol (PubChem CID 167162275) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methyloxan-3-ol.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methyloxan-3-ol
PubChem CID167162275
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-(methoxymethyl)-4-methyloxan-3-ol
SMILESCOCC1(C)CCOCC1O
InChIInChI=1S/C8H16O3/c1-8(6-10-2)3-4-11-5-7(8)9/h7,9H,3-6H2,1-2H3
InChIKeyMOHOCPIKECUKGV-UHFFFAOYSA-N
XLogP0.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-methyloxan-3-ol?
The IUPAC name of 4-(methoxymethyl)-4-methyloxan-3-ol (CID 167162275) is 4-(methoxymethyl)-4-methyloxan-3-ol.
What is the SMILES notation for 4-(methoxymethyl)-4-methyloxan-3-ol?
The canonical SMILES for 4-(methoxymethyl)-4-methyloxan-3-ol is COCC1(C)CCOCC1O.
What is the InChIKey of 4-(methoxymethyl)-4-methyloxan-3-ol?
The InChIKey is MOHOCPIKECUKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(6-10-2)3-4-11-5-7(8)9/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-4-methyloxan-3-ol?
4-(methoxymethyl)-4-methyloxan-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-methyloxan-3-ol is sourced from PubChem (CID 167162275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).