(3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene

C10H18O2 — CID 100960143

IUPAC(3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene
SMILESCCO[C@H]1C(COC)=C(C)[C@@H]1C
InChIInChI=1S/C10H18O2/c1-5-12-10-8(3)7(2)9(10)6-11-4/h8,10H,5-6H2,1-4H3/t8-,10+/m0/s1
InChIKeySQMMWUIENNMMQY-WCBMZHEXSA-N
MW170.25 g/mol
LogP2.00
Rot. Bonds4

About (3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene

(3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene (PubChem CID 100960143) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene.

Molecular Properties

Compound Name(3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene
PubChem CID100960143
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene
SMILESCCO[C@H]1C(COC)=C(C)[C@@H]1C
InChIInChI=1S/C10H18O2/c1-5-12-10-8(3)7(2)9(10)6-11-4/h8,10H,5-6H2,1-4H3/t8-,10+/m0/s1
InChIKeySQMMWUIENNMMQY-WCBMZHEXSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
CID 135002842
Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135002843
(2R)-4,5-dimethyl-2-propan-2-yl-3,6-dihydro-2H-pyran
CID 154711650
2-(Butan-2-yl)-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 69341394
4,5-Dimethyl-2-(pentan-3-yl)-3,6-dihydro-2H-pyran
CID 69341481
4,5-Dimethyl-2-(pentan-2-yl)-3,6-dihydro-2H-pyran
CID 69341755
2-Propan-2-yl-3-propan-2-ylideneoxolane
CID 129094849
2-methyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran
CID 135194507
2,6-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyran
CID 135194514
2-Ethoxy-3-(1-methoxyethyl)-5-methylhex-2-ene
CID 141096911
4-butan-2-yl-5-propan-2-yl-3,6-dihydro-2H-pyran
CID 147653351
5-ethyl-2-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
CID 155273501

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene?
The IUPAC name of (3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene (CID 100960143) is (3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene.
What is the SMILES notation for (3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene?
The canonical SMILES for (3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene is CCO[C@H]1C(COC)=C(C)[C@@H]1C.
What is the InChIKey of (3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene?
The InChIKey is SQMMWUIENNMMQY-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-12-10-8(3)7(2)9(10)6-11-4/h8,10H,5-6H2,1-4H3/t8-,10+/m0/s1.
What are the key properties of (3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene?
(3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene has a molecular weight of 170.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-ethoxy-1-(methoxymethyl)-2,3-dimethylcyclobutene is sourced from PubChem (CID 100960143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).