(6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one

C18H30O2 — CID 11208209

IUPAC(6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one
SMILESCC1=C(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC[C@@H](C)C1=O
InChIInChI=1S/C18H30O2/c1-11(2)15-8-6-12(3)10-17(15)20-16-9-7-13(4)18(19)14(16)5/h11-13,15,17H,6-10H2,1-5H3/t12-,13-,15+,17-/m1/s1
InChIKeyVSSITXCHMXMWCE-LNCBFAARSA-N
MW278.44 g/mol
LogP4.74
Rot. Bonds3

About (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one

(6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one (PubChem CID 11208209) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one
PubChem CID11208209
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one
SMILESCC1=C(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC[C@@H](C)C1=O
InChIInChI=1S/C18H30O2/c1-11(2)15-8-6-12(3)10-17(15)20-16-9-7-13(4)18(19)14(16)5/h11-13,15,17H,6-10H2,1-5H3/t12-,13-,15+,17-/m1/s1
InChIKeyVSSITXCHMXMWCE-LNCBFAARSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclopent-2-en-1-one
CID 130467627
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
CID 117070570
CID 117070570
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
cis-2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 129460596
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-chloroethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
CID 77355746
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940

Frequently Asked Questions

What is the IUPAC name of (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one?
The IUPAC name of (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one (CID 11208209) is (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one.
What is the SMILES notation for (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one?
The canonical SMILES for (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one is CC1=C(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC[C@@H](C)C1=O.
What is the InChIKey of (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one?
The InChIKey is VSSITXCHMXMWCE-LNCBFAARSA-N. The full InChI is InChI=1S/C18H30O2/c1-11(2)15-8-6-12(3)10-17(15)20-16-9-7-13(4)18(19)14(16)5/h11-13,15,17H,6-10H2,1-5H3/t12-,13-,15+,17-/m1/s1.
What are the key properties of (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one?
(6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one has a molecular weight of 278.44 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,6-dimethyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohex-2-en-1-one is sourced from PubChem (CID 11208209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).