1-(furan-2-yl)-6-methylheptan-2-one

C12H18O2 — CID 123946123

IUPAC1-(furan-2-yl)-6-methylheptan-2-one
SMILESCC(C)CCCC(=O)Cc1ccco1
InChIInChI=1S/C12H18O2/c1-10(2)5-3-6-11(13)9-12-7-4-8-14-12/h4,7-8,10H,3,5-6,9H2,1-2H3
InChIKeyQRSNIEGRDZXXBV-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.22
Rot. Bonds6

About 1-(furan-2-yl)-6-methylheptan-2-one

1-(furan-2-yl)-6-methylheptan-2-one (PubChem CID 123946123) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-6-methylheptan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)-6-methylheptan-2-one
PubChem CID123946123
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(furan-2-yl)-6-methylheptan-2-one
SMILESCC(C)CCCC(=O)Cc1ccco1
InChIInChI=1S/C12H18O2/c1-10(2)5-3-6-11(13)9-12-7-4-8-14-12/h4,7-8,10H,3,5-6,9H2,1-2H3
InChIKeyQRSNIEGRDZXXBV-UHFFFAOYSA-N
XLogP3.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
1-(furan-2-yl)hexan-2-one
CID 3115857
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
2-[(E)-2-butyl-7-methyloct-2-enyl]furan
CID 15112256
2-methylpropyl 2-(furan-2-yl)acetate
CID 156705031
1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
CID 116556195
7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
CID 116574856
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one
CID 116608493
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-6-methylheptan-2-one?
The IUPAC name of 1-(furan-2-yl)-6-methylheptan-2-one (CID 123946123) is 1-(furan-2-yl)-6-methylheptan-2-one.
What is the SMILES notation for 1-(furan-2-yl)-6-methylheptan-2-one?
The canonical SMILES for 1-(furan-2-yl)-6-methylheptan-2-one is CC(C)CCCC(=O)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-6-methylheptan-2-one?
The InChIKey is QRSNIEGRDZXXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-10(2)5-3-6-11(13)9-12-7-4-8-14-12/h4,7-8,10H,3,5-6,9H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-6-methylheptan-2-one?
1-(furan-2-yl)-6-methylheptan-2-one has a molecular weight of 194.27 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-6-methylheptan-2-one is sourced from PubChem (CID 123946123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).