2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol

C12H24O2 — CID 175430277

IUPAC2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol
SMILESCC1CCCC(CC(C)OCCO)C1
InChIInChI=1S/C12H24O2/c1-10-4-3-5-12(8-10)9-11(2)14-7-6-13/h10-13H,3-9H2,1-2H3
InChIKeyLZGNZDSECIFMFU-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds5

About 2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol

2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol (PubChem CID 175430277) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol.

Molecular Properties

Compound Name2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol
PubChem CID175430277
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol
SMILESCC1CCCC(CC(C)OCCO)C1
InChIInChI=1S/C12H24O2/c1-10-4-3-5-12(8-10)9-11(2)14-7-6-13/h10-13H,3-9H2,1-2H3
InChIKeyLZGNZDSECIFMFU-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
2-methyl-3-(3-methylcyclohexyl)propan-1-ol
CID 57429420
3-methyl-1-(3-methylcyclohexyl)butan-2-ol
CID 79422374
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
1-(3-bromo-2-methylpropyl)-3-methylcyclohexane
CID 64670996
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
3-methyl-1-(3-methylcyclohexyl)butan-2-one;propane
CID 170590259
3-amino-4-methoxy-2-[(3-methylcyclohexyl)methoxy]butan-1-ol
CID 114197074
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol?
The IUPAC name of 2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol (CID 175430277) is 2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol.
What is the SMILES notation for 2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol?
The canonical SMILES for 2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol is CC1CCCC(CC(C)OCCO)C1.
What is the InChIKey of 2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol?
The InChIKey is LZGNZDSECIFMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10-4-3-5-12(8-10)9-11(2)14-7-6-13/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol?
2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol is sourced from PubChem (CID 175430277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).