3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one

C12H18O2 — CID 121011462

IUPAC3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C=C1CC1CCCCC1
InChIInChI=1S/C12H18O2/c1-9-11(8-12(13)14-9)7-10-5-3-2-4-6-10/h8-10H,2-7H2,1H3
InChIKeySVBMROKZNACODI-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds2

About 3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one

3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one (PubChem CID 121011462) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one
PubChem CID121011462
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C=C1CC1CCCCC1
InChIInChI=1S/C12H18O2/c1-9-11(8-12(13)14-9)7-10-5-3-2-4-6-10/h8-10H,2-7H2,1H3
InChIKeySVBMROKZNACODI-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carvyl acetate
CID 7335
Perillyl acetate
CID 61780
Carvyl propionate, (+-)-
CID 7336
p-Mentha-1,8(10)-dien-9-yl acetate
CID 61781
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Carvyl acetate, (1S,5S)-
CID 81544
Sinodor
CID 89382
1-Cyclohexylethyl 2-butenoate
CID 107073
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
10-Methylundec-2-en-4-olide
CID 21778197
10-Methyldodec-2-en-4-olide
CID 21778198

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one?
The IUPAC name of 3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one (CID 121011462) is 3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one?
The canonical SMILES for 3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one is CC1OC(=O)C=C1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one?
The InChIKey is SVBMROKZNACODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-11(8-12(13)14-9)7-10-5-3-2-4-6-10/h8-10H,2-7H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one?
3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one has a molecular weight of 194.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one is sourced from PubChem (CID 121011462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).