2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol

C13H22O — CID 57059178

IUPAC2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol
SMILESCC1(C)CCC2CC1CC=C2CCO
InChIInChI=1S/C13H22O/c1-13(2)7-5-11-9-12(13)4-3-10(11)6-8-14/h3,11-12,14H,4-9H2,1-2H3
InChIKeyKVNHHXYHBWWILK-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds2

About 2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol

2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol (PubChem CID 57059178) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol.

Molecular Properties

Compound Name2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol
PubChem CID57059178
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol
SMILESCC1(C)CCC2CC1CC=C2CCO
InChIInChI=1S/C13H22O/c1-13(2)7-5-11-9-12(13)4-3-10(11)6-8-14/h3,11-12,14H,4-9H2,1-2H3
InChIKeyKVNHHXYHBWWILK-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol?
The IUPAC name of 2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol (CID 57059178) is 2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol.
What is the SMILES notation for 2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol?
The canonical SMILES for 2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol is CC1(C)CCC2CC1CC=C2CCO.
What is the InChIKey of 2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol?
The InChIKey is KVNHHXYHBWWILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-13(2)7-5-11-9-12(13)4-3-10(11)6-8-14/h3,11-12,14H,4-9H2,1-2H3.
What are the key properties of 2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol?
2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol has a molecular weight of 194.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-2-bicyclo[3.3.1]non-2-enyl)ethanol is sourced from PubChem (CID 57059178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).