3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol

C10H20O3 — CID 106823648

IUPAC3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol
SMILESCOCCC(C)C1(O)CC(OC)C1
InChIInChI=1S/C10H20O3/c1-8(4-5-12-2)10(11)6-9(7-10)13-3/h8-9,11H,4-7H2,1-3H3
InChIKeyNRKLMISEAGTWAQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.20
Rot. Bonds5

About 3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol

3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol (PubChem CID 106823648) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol
PubChem CID106823648
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol
SMILESCOCCC(C)C1(O)CC(OC)C1
InChIInChI=1S/C10H20O3/c1-8(4-5-12-2)10(11)6-9(7-10)13-3/h8-9,11H,4-7H2,1-3H3
InChIKeyNRKLMISEAGTWAQ-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol?
The IUPAC name of 3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol (CID 106823648) is 3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol?
The canonical SMILES for 3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol is COCCC(C)C1(O)CC(OC)C1.
What is the InChIKey of 3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol?
The InChIKey is NRKLMISEAGTWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(4-5-12-2)10(11)6-9(7-10)13-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol?
3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 106823648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).