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

C12H24O2 — CID 11651336

IUPAC2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1OCCO
InChIInChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-13H,4-8H2,1-3H3/t10-,11+,12?/m1/s1
InChIKeyFVBGFZNFXUIHNC-UBNQGINQSA-N
MW200.32 g/mol
LogP2.46
Rot. Bonds4

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

2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol (PubChem CID 11651336) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
PubChem CID11651336
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1OCCO
InChIInChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-13H,4-8H2,1-3H3/t10-,11+,12?/m1/s1
InChIKeyFVBGFZNFXUIHNC-UBNQGINQSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol with MolForge

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Launch Full Analysis

Related Compounds

3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane
CID 66472138
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1-sulfonic acid
CID 87267060
fluoro-dimethyl-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]silane
CID 10988606

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
The IUPAC name of 2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol (CID 11651336) is 2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol.
What is the SMILES notation for 2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
The canonical SMILES for 2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol is CC(C)[C@@H]1CC[C@@H](C)CC1OCCO.
What is the InChIKey of 2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
The InChIKey is FVBGFZNFXUIHNC-UBNQGINQSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-13H,4-8H2,1-3H3/t10-,11+,12?/m1/s1.
What are the key properties of 2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol has a molecular weight of 200.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol is sourced from PubChem (CID 11651336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).