2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol

C16H26O — CID 106657571

IUPAC2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol
SMILESOC(C1=CCCCCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H26O/c17-16(13-6-4-2-1-3-5-7-13)15-11-12-8-9-14(15)10-12/h6,12,14-17H,1-5,7-11H2
InChIKeyCHJFBMGINZXNDV-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.06
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol

2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol (PubChem CID 106657571) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol
PubChem CID106657571
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol
SMILESOC(C1=CCCCCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H26O/c17-16(13-6-4-2-1-3-5-7-13)15-11-12-8-9-14(15)10-12/h6,12,14-17H,1-5,7-11H2
InChIKeyCHJFBMGINZXNDV-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methyl]hydrazine
CID 106649507
cyclohepten-1-yl-(2-methylcyclopentyl)methanol
CID 107181713
cyclohepten-1-yl-(2-methylcyclopropyl)methanol
CID 62078578
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
6-bicyclo[3.1.0]hexanyl(cycloocten-1-yl)methanol
CID 106657681
cyclopenten-1-yl-(2-methylcyclopropyl)methanol
CID 62080405
2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane
CID 154721857
cyclohepten-1-yl(oxolan-2-yl)methanol
CID 62078402
2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-methylethanamine
CID 63504992
cycloocten-1-yl-(2,2-dimethylcyclopropyl)methanol
CID 107005521
2-(dibromomethyl)bicyclo[2.2.1]heptane
CID 68736675

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol (CID 106657571) is 2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol is OC(C1=CCCCCCC1)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol?
The InChIKey is CHJFBMGINZXNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c17-16(13-6-4-2-1-3-5-7-13)15-11-12-8-9-14(15)10-12/h6,12,14-17H,1-5,7-11H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol?
2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol has a molecular weight of 234.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol is sourced from PubChem (CID 106657571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).