2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol

C14H26O4 — CID 138550493

IUPAC2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol
SMILESCC1(OCCO)CC2CCCC(OCCO)(C2)C1
InChIInChI=1S/C14H26O4/c1-13(17-7-5-15)9-12-3-2-4-14(10-12,11-13)18-8-6-16/h12,15-16H,2-11H2,1H3
InChIKeyRQWDKCWPRCLMCM-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.49
Rot. Bonds6

About 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol

2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol (PubChem CID 138550493) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol
PubChem CID138550493
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol
SMILESCC1(OCCO)CC2CCCC(OCCO)(C2)C1
InChIInChI=1S/C14H26O4/c1-13(17-7-5-15)9-12-3-2-4-14(10-12,11-13)18-8-6-16/h12,15-16H,2-11H2,1H3
InChIKeyRQWDKCWPRCLMCM-UHFFFAOYSA-N
XLogP1.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol with MolForge

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Related Compounds

2-[[(5S,7S)-3-ethyl-1-adamantyl]oxy]ethanol
CID 98064938
2-[(3-ethyl-1-adamantyl)oxy]ethanol
CID 53216180
(3aR,6aR)-5-(2-hydroxyethoxy)-5-methyl-6a-(methylamino)-3,3a,4,6-tetrahydro-1H-pentalen-2-one
CID 153041034
3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol
CID 148598782
[3-(hydroxymethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] 2-iodo-2-methylbutanoate
CID 163432299
2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 163654965
1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile
CID 103375901
[3,5-bis(2-hydroxyethoxy)-1-adamantyl] prop-2-enoate
CID 70171220
2-[1-(3,3-dimethylcyclohexyl)ethoxy]ethanol
CID 59184443
2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 163608342
1,1-difluoro-2-[(3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]-2-oxoethanesulfonic acid
CID 134384353
[3-hydroxy-5-(2-hydroxyethoxy)-1-adamantyl] 2,2-dimethylbutanoate
CID 58031130

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol?
The IUPAC name of 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol (CID 138550493) is 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol.
What is the SMILES notation for 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol?
The canonical SMILES for 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol is CC1(OCCO)CC2CCCC(OCCO)(C2)C1.
What is the InChIKey of 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol?
The InChIKey is RQWDKCWPRCLMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-13(17-7-5-15)9-12-3-2-4-14(10-12,11-13)18-8-6-16/h12,15-16H,2-11H2,1H3.
What are the key properties of 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol?
2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol has a molecular weight of 258.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol is sourced from PubChem (CID 138550493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).