1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one

C10H16O2 — CID 102652813

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1=CCCO1
InChIInChI=1S/C10H16O2/c1-3-5-8(2)10(11)9-6-4-7-12-9/h6,8H,3-5,7H2,1-2H3
InChIKeyLZWMIXCQPVDUJQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds4

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

1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one (PubChem CID 102652813) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one
PubChem CID102652813
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)C1=CCCO1
InChIInChI=1S/C10H16O2/c1-3-5-8(2)10(11)9-6-4-7-12-9/h6,8H,3-5,7H2,1-2H3
InChIKeyLZWMIXCQPVDUJQ-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopenten-1-one, 2-methoxy-3,5-dimethyl-
CID 112172
2-(2-Methylpropoxy)cyclopent-2-en-1-one
CID 12858359
Methoxy-5-methylcyclohex-2-enone
CID 129652246
2-Methoxy-3,4-dimethyl-2-cyclopenten-1-one
CID 19871665
2-Ethoxy-5-methylcyclopent-2-en-1-one
CID 3746604
2-(2-Methylpropoxy)cyclohex-2-en-1-one
CID 12858355
1-(3,4-Dihydro-2H-pyran-6-yl)-3-methyl-2-methylidenebutan-1-one
CID 71377803
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylidenepentan-1-one
CID 85991138
(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one
CID 134933023
(5E)-4-tert-butyl-2-ethoxy-5-ethylidenecyclopent-2-en-1-one
CID 134996474
Methoxy bicyclo[3.2.0]heptadienone
CID 137796795
5-Cyclohexyl-2-methylfuran-3-one
CID 177856055

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one (CID 102652813) is 1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one is CCCC(C)C(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one?
The InChIKey is LZWMIXCQPVDUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-8(2)10(11)9-6-4-7-12-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one?
1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-methylpentan-1-one is sourced from PubChem (CID 102652813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).