(2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one

C14H20O2 — CID 139057421

IUPAC(2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one
SMILESCC1=C[C@H](C2=C(C)CCCC2(C)C)OC1=O
InChIInChI=1S/C14H20O2/c1-9-6-5-7-14(3,4)12(9)11-8-10(2)13(15)16-11/h8,11H,5-7H2,1-4H3/t11-/m1/s1
InChIKeyYVMKZSMXDMAMQI-LLVKDONJSA-N
MW220.31 g/mol
LogP3.38
Rot. Bonds1

About (2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one

(2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one (PubChem CID 139057421) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one
PubChem CID139057421
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one
SMILESCC1=C[C@H](C2=C(C)CCCC2(C)C)OC1=O
InChIInChI=1S/C14H20O2/c1-9-6-5-7-14(3,4)12(9)11-8-10(2)13(15)16-11/h8,11H,5-7H2,1-4H3/t11-/m1/s1
InChIKeyYVMKZSMXDMAMQI-LLVKDONJSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one?
The IUPAC name of (2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one (CID 139057421) is (2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one.
What is the SMILES notation for (2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one?
The canonical SMILES for (2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one is CC1=C[C@H](C2=C(C)CCCC2(C)C)OC1=O.
What is the InChIKey of (2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one?
The InChIKey is YVMKZSMXDMAMQI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-6-5-7-14(3,4)12(9)11-8-10(2)13(15)16-11/h8,11H,5-7H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one?
(2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one has a molecular weight of 220.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-2H-furan-5-one is sourced from PubChem (CID 139057421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).