(3-methyloxetan-3-yl)methyl 4-methoxybutanoate

C10H18O4 — CID 59196931

IUPAC(3-methyloxetan-3-yl)methyl 4-methoxybutanoate
SMILESCOCCCC(=O)OCC1(C)COC1
InChIInChI=1S/C10H18O4/c1-10(6-13-7-10)8-14-9(11)4-3-5-12-2/h3-8H2,1-2H3
InChIKeyDJTVOKYVXXWEME-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.99
Rot. Bonds6

About (3-methyloxetan-3-yl)methyl 4-methoxybutanoate

(3-methyloxetan-3-yl)methyl 4-methoxybutanoate (PubChem CID 59196931) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 4-methoxybutanoate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 4-methoxybutanoate
PubChem CID59196931
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3-methyloxetan-3-yl)methyl 4-methoxybutanoate
SMILESCOCCCC(=O)OCC1(C)COC1
InChIInChI=1S/C10H18O4/c1-10(6-13-7-10)8-14-9(11)4-3-5-12-2/h3-8H2,1-2H3
InChIKeyDJTVOKYVXXWEME-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-methyloxetan-3-yl)methyl 4-phenylbutanoate
CID 13123200
3-(6-methoxyhexoxymethyl)-3-methyloxetane
CID 59747426
bis[(3-methyloxetan-3-yl)methyl] (E)-but-2-enedioate
CID 90456001
2-methoxyethyl 5-methoxypentanoate
CID 58454735
(3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate
CID 161256870
methyl 4-methoxybutanoate
CID 542317
3-(5-ethoxypentoxymethyl)-3-methyloxetane;(3-ethyloxetan-3-yl)methyl heptanoate;heptyl prop-2-enoate;4-methoxybut-1-ene;4-methoxybutyl prop-2-enoate;6-methoxyhexyl prop-2-enoate;8-methoxyoct-1-ene;8-methoxyoctyl prop-2-enoate;nonyl prop-2-enoate
CID 162019470
ethyl 5-methoxypentanoate
CID 21476247
4-methoxybutanamide
CID 22414177
(3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate
CID 91129325
7-O-[[3,5-bis[6-[(5-methyl-1,3-dioxan-5-yl)methoxycarbonyl]hept-6-enoyloxymethyl]phenyl]methyl] 1-O-[(5-methyl-1,3-dioxan-5-yl)methyl] 2-methylideneheptanedioate
CID 102429485
(3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate
CID 164728573

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 4-methoxybutanoate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 4-methoxybutanoate (CID 59196931) is (3-methyloxetan-3-yl)methyl 4-methoxybutanoate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 4-methoxybutanoate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 4-methoxybutanoate is COCCCC(=O)OCC1(C)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 4-methoxybutanoate?
The InChIKey is DJTVOKYVXXWEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(6-13-7-10)8-14-9(11)4-3-5-12-2/h3-8H2,1-2H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 4-methoxybutanoate?
(3-methyloxetan-3-yl)methyl 4-methoxybutanoate has a molecular weight of 202.25 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 4-methoxybutanoate is sourced from PubChem (CID 59196931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).