2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol

C12H22O2 — CID 91389809

IUPAC2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol
SMILESC=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCO
InChIInChI=1S/C12H22O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h10-13H,1,4-8H2,2-3H3/t10-,11+,12-/m1/s1
InChIKeyMBNBKJISNGTSFS-GRYCIOLGSA-N
MW198.31 g/mol
LogP2.38
Rot. Bonds4

About 2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol

2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol (PubChem CID 91389809) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol
PubChem CID91389809
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol
SMILESC=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCO
InChIInChI=1S/C12H22O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h10-13H,1,4-8H2,2-3H3/t10-,11+,12-/m1/s1
InChIKeyMBNBKJISNGTSFS-GRYCIOLGSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
CID 67096167
2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
CID 67096057
4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane
CID 67096274
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
4-methyl-2-(2-methyl-4-propoxypentoxy)-1-prop-1-en-2-ylcyclohexane
CID 67096330
2-(3-methyl-3-propan-2-ylcyclohexyl)oxyethanol;(5-methyl-2-prop-1-en-2-ylcyclohexyl) hydrogen carbonate
CID 68898440
[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
CID 146204600
2-(2-methylcyclopropyl)oxyethanol
CID 130122746
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol?
The IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol (CID 91389809) is 2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol.
What is the SMILES notation for 2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol?
The canonical SMILES for 2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol is C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCO.
What is the InChIKey of 2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol?
The InChIKey is MBNBKJISNGTSFS-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h10-13H,1,4-8H2,2-3H3/t10-,11+,12-/m1/s1.
What are the key properties of 2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol?
2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol has a molecular weight of 198.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]oxyethanol is sourced from PubChem (CID 91389809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).