1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene

C21H34O — CID 101180265

IUPAC1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene
SMILESCCCCC(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1
InChIInChI=1S/C21H34O/c1-5-6-12-20(18-10-8-7-9-11-18)22-21-15-17(4)13-14-19(21)16(2)3/h7-11,16-17,19-21H,5-6,12-15H2,1-4H3/t17-,19+,20?,21-/m1/s1
InChIKeyXLNLPUNYQDFCOH-LMFOQQEESA-N
MW302.50 g/mol
LogP6.40
Rot. Bonds7

About 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene

1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene (PubChem CID 101180265) has the molecular formula C21H34O and a molecular weight of 302.50 g/mol. Its IUPAC name is 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene.

Molecular Properties

Compound Name1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene
PubChem CID101180265
Molecular FormulaC21H34O
Molecular Weight302.50 g/mol
Exact Mass302.26
IUPAC Name1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene
SMILESCCCCC(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1
InChIInChI=1S/C21H34O/c1-5-6-12-20(18-10-8-7-9-11-18)22-21-15-17(4)13-14-19(21)16(2)3/h7-11,16-17,19-21H,5-6,12-15H2,1-4H3/t17-,19+,20?,21-/m1/s1
InChIKeyXLNLPUNYQDFCOH-LMFOQQEESA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxynonylbenzene
CID 101180269
1-[2-iodo-1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-methylbenzene
CID 114772958
3,3-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]prop-1-ynylbenzene
CID 12964719
[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-3-phenylbutanoate
CID 7053819
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate
CID 124836317
ethyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane
CID 586507
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
N-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]butan-1-amine
CID 46702321
ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenyl-sulfanylidene-λ5-phosphane
CID 23415856
[(2R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methyl-3-phenylbutanoate
CID 59897726
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
CID 6365001
CID 6365001

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene?
The IUPAC name of 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene (CID 101180265) is 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene.
What is the SMILES notation for 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene?
The canonical SMILES for 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene is CCCCC(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1.
What is the InChIKey of 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene?
The InChIKey is XLNLPUNYQDFCOH-LMFOQQEESA-N. The full InChI is InChI=1S/C21H34O/c1-5-6-12-20(18-10-8-7-9-11-18)22-21-15-17(4)13-14-19(21)16(2)3/h7-11,16-17,19-21H,5-6,12-15H2,1-4H3/t17-,19+,20?,21-/m1/s1.
What are the key properties of 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene?
1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene has a molecular weight of 302.50 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypentylbenzene is sourced from PubChem (CID 101180265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).