1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol

C12H20O2 — CID 163973383

IUPAC1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol
SMILESCC1C=C2CCC(OC(C)O)C(C2)C1
InChIInChI=1S/C12H20O2/c1-8-5-10-3-4-12(14-9(2)13)11(6-8)7-10/h5,8-9,11-13H,3-4,6-7H2,1-2H3
InChIKeySRYZLPPPKKWIQJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.48
Rot. Bonds2

About 1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol

1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol (PubChem CID 163973383) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol.

Molecular Properties

Compound Name1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol
PubChem CID163973383
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol
SMILESCC1C=C2CCC(OC(C)O)C(C2)C1
InChIInChI=1S/C12H20O2/c1-8-5-10-3-4-12(14-9(2)13)11(6-8)7-10/h5,8-9,11-13H,3-4,6-7H2,1-2H3
InChIKeySRYZLPPPKKWIQJ-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2,7-dimethyl-2-bicyclo[3.3.1]non-5-enyl) 2-methylpropanoate
CID 149369184
(5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol
CID 118659400
3,7-dimethylbicyclo[3.3.1]non-1-ene
CID 123750976
2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
CID 103277720
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 103277041
(2-ethyl-7-methyl-2-bicyclo[3.3.1]non-5-enyl) prop-2-enoate
CID 163664678
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methoxypropan-2-ol
CID 103276814
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 103277162
1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol
CID 156697359
1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol
CID 118112369
1-cyclohex-2-en-1-yloxyethanol
CID 143838832

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol?
The IUPAC name of 1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol (CID 163973383) is 1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol.
What is the SMILES notation for 1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol?
The canonical SMILES for 1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol is CC1C=C2CCC(OC(C)O)C(C2)C1.
What is the InChIKey of 1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol?
The InChIKey is SRYZLPPPKKWIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8-5-10-3-4-12(14-9(2)13)11(6-8)7-10/h5,8-9,11-13H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol?
1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol has a molecular weight of 196.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyl-2-bicyclo[3.3.1]non-5-enyl)oxy]ethanol is sourced from PubChem (CID 163973383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).