(3R)-3-(methoxymethyl)-3-propyloxane

C10H20O2 — CID 168881055

IUPAC(3R)-3-(methoxymethyl)-3-propyloxane
SMILESCCC[C@]1(COC)CCCOC1
InChIInChI=1S/C10H20O2/c1-3-5-10(8-11-2)6-4-7-12-9-10/h3-9H2,1-2H3/t10-/m1/s1
InChIKeyMRPJZDWMSIRKBD-SNVBAGLBSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About (3R)-3-(methoxymethyl)-3-propyloxane

(3R)-3-(methoxymethyl)-3-propyloxane (PubChem CID 168881055) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-3-propyloxane.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-3-propyloxane
PubChem CID168881055
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3R)-3-(methoxymethyl)-3-propyloxane
SMILESCCC[C@]1(COC)CCCOC1
InChIInChI=1S/C10H20O2/c1-3-5-10(8-11-2)6-4-7-12-9-10/h3-9H2,1-2H3/t10-/m1/s1
InChIKeyMRPJZDWMSIRKBD-SNVBAGLBSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Bis(methoxymethyl)-3,5-dimethylheptane
CID 21036025
2,8-Dioxaspiro[5.5]undecane
CID 22020701
1,1-Bis(ethoxymethyl)cyclohexane
CID 22372617
3-Ethyl-3-(2-ethylhexoxymethyl)oxane
CID 22556148
4-Butyl-4-methyloxane
CID 23388827
1-Methoxy-3-(2-methoxyethyl)-3-methylheptane
CID 57033941
3,3-Dipropyloxane
CID 57973170
1-Methoxy-4,4-bis(propoxymethyl)hexane
CID 59502475
(3S)-3-(cyclohexylmethoxymethyl)oxane
CID 59953465
(3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane
CID 59958290
4-Ethyl-1,7-dimethoxy-4-(propoxymethyl)heptane
CID 60115730
(3-Ethyloxan-3-yl)methanol
CID 66058393

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-3-propyloxane?
The IUPAC name of (3R)-3-(methoxymethyl)-3-propyloxane (CID 168881055) is (3R)-3-(methoxymethyl)-3-propyloxane.
What is the SMILES notation for (3R)-3-(methoxymethyl)-3-propyloxane?
The canonical SMILES for (3R)-3-(methoxymethyl)-3-propyloxane is CCC[C@]1(COC)CCCOC1.
What is the InChIKey of (3R)-3-(methoxymethyl)-3-propyloxane?
The InChIKey is MRPJZDWMSIRKBD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-10(8-11-2)6-4-7-12-9-10/h3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-3-propyloxane?
(3R)-3-(methoxymethyl)-3-propyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-3-propyloxane is sourced from PubChem (CID 168881055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).