5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one

C16H26O2 — CID 130467627

IUPAC5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one
SMILESCC1CC(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)=CC1=O
InChIInChI=1S/C16H26O2/c1-10(2)14-6-5-11(3)7-16(14)18-13-8-12(4)15(17)9-13/h9-12,14,16H,5-8H2,1-4H3/t11-,12?,14+,16-/m1/s1
InChIKeyMDRUYCWSXBWCQY-FXKGHYBPSA-N
MW250.38 g/mol
LogP3.96
Rot. Bonds3

About 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one

5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one (PubChem CID 130467627) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one
PubChem CID130467627
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one
SMILESCC1CC(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)=CC1=O
InChIInChI=1S/C16H26O2/c1-10(2)14-6-5-11(3)7-16(14)18-13-8-12(4)15(17)9-13/h9-12,14,16H,5-8H2,1-4H3/t11-,12?,14+,16-/m1/s1
InChIKeyMDRUYCWSXBWCQY-FXKGHYBPSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) (6S)-4-methoxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
CID 57089541
(6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one
CID 11208209
CID 117070570
CID 117070570
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
3-O-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2S,3R)-2,4-dimethyl-6-oxocyclohex-4-ene-1,3-dicarboxylate
CID 11887104
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane
CID 16695980
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphinite
CID 101185774
1-(chloromethyl)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzene
CID 178071017

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one?
The IUPAC name of 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one (CID 130467627) is 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one?
The canonical SMILES for 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one is CC1CC(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)=CC1=O.
What is the InChIKey of 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one?
The InChIKey is MDRUYCWSXBWCQY-FXKGHYBPSA-N. The full InChI is InChI=1S/C16H26O2/c1-10(2)14-6-5-11(3)7-16(14)18-13-8-12(4)15(17)9-13/h9-12,14,16H,5-8H2,1-4H3/t11-,12?,14+,16-/m1/s1.
What are the key properties of 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one?
5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one has a molecular weight of 250.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 130467627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).