1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one

C10H16O3 — CID 102652787

IUPAC1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one
SMILESCOC(C)CCC(=O)C1=CCCO1
InChIInChI=1S/C10H16O3/c1-8(12-2)5-6-9(11)10-4-3-7-13-10/h4,8H,3,5-7H2,1-2H3
InChIKeyHPGPQKYLEMQXIT-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one

1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one (PubChem CID 102652787) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one
PubChem CID102652787
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one
SMILESCOC(C)CCC(=O)C1=CCCO1
InChIInChI=1S/C10H16O3/c1-8(12-2)5-6-9(11)10-4-3-7-13-10/h4,8H,3,5-7H2,1-2H3
InChIKeyHPGPQKYLEMQXIT-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146941
5-amino-1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one
CID 102652629
1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione
CID 123161826
1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one
CID 105134620
1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-amine
CID 102653078
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
CID 102648616
4-methoxy-1-thiophen-2-ylpentan-1-one
CID 105081586
4-methoxy-1-naphthalen-1-ylpentan-1-one
CID 105094486
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648441
1-(2,3-dihydrofuran-5-yl)-2,2-difluoroethanone
CID 102651098
2,3-dihydrofuran-5-yl-(1-methoxycyclobutyl)methanone
CID 102651113

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one (CID 102652787) is 1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one is COC(C)CCC(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one?
The InChIKey is HPGPQKYLEMQXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(12-2)5-6-9(11)10-4-3-7-13-10/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one?
1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-one is sourced from PubChem (CID 102652787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).