2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol

C10H16O2 — CID 68583810

IUPAC2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol
SMILESCC1C2C=CC(C2)C1OCCO
InChIInChI=1S/C10H16O2/c1-7-8-2-3-9(6-8)10(7)12-5-4-11/h2-3,7-11H,4-6H2,1H3
InChIKeyVTRXECFFDGNQJA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.21
Rot. Bonds3

About 2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol

2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol (PubChem CID 68583810) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol
PubChem CID68583810
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol
SMILESCC1C2C=CC(C2)C1OCCO
InChIInChI=1S/C10H16O2/c1-7-8-2-3-9(6-8)10(7)12-5-4-11/h2-3,7-11H,4-6H2,1H3
InChIKeyVTRXECFFDGNQJA-UHFFFAOYSA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.21
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-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol
CID 130128012
2-(2-methylcyclopropyl)oxyethanol
CID 130122746
5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane
CID 90928180
N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 89110472
2-(6-methylcyclohex-3-en-1-yl)oxyethanol
CID 145357109
2-hydroxyethyl 3-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 68584016
5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane;prop-2-enoic acid;ruthenium
CID 162006532
amino (1S,2S,3S,4R)-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 89472520
(1S,4R)-3-(2-hydroxyethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11345148
[(1S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 23555960
4-chlorobutyl (1R,2S,3R,4R)-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 124924299
heptadecyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 59913011

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol?
The IUPAC name of 2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol (CID 68583810) is 2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol.
What is the SMILES notation for 2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol?
The canonical SMILES for 2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol is CC1C2C=CC(C2)C1OCCO.
What is the InChIKey of 2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol?
The InChIKey is VTRXECFFDGNQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-8-2-3-9(6-8)10(7)12-5-4-11/h2-3,7-11H,4-6H2,1H3.
What are the key properties of 2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol?
2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol is sourced from PubChem (CID 68583810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).