1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol

C9H16O2 — CID 130578989

IUPAC1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1=COCC1
InChIInChI=1S/C9H16O2/c1-3-7(2)9(10)8-4-5-11-6-8/h6-7,9-10H,3-5H2,1-2H3
InChIKeyMGKKVRRFCGRPMT-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds3

About 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol

1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol (PubChem CID 130578989) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol
PubChem CID130578989
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1=COCC1
InChIInChI=1S/C9H16O2/c1-3-7(2)9(10)8-4-5-11-6-8/h6-7,9-10H,3-5H2,1-2H3
InChIKeyMGKKVRRFCGRPMT-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol (CID 130578989) is 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol is CCC(C)C(O)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol?
The InChIKey is MGKKVRRFCGRPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-7(2)9(10)8-4-5-11-6-8/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol?
1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 130578989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).