cycloocten-1-yl-(2-methyloxolan-3-yl)methanol

C14H24O2 — CID 106657618

IUPACcycloocten-1-yl-(2-methyloxolan-3-yl)methanol
SMILESCC1OCCC1C(O)C1=CCCCCCC1
InChIInChI=1S/C14H24O2/c1-11-13(9-10-16-11)14(15)12-7-5-3-2-4-6-8-12/h7,11,13-15H,2-6,8-10H2,1H3
InChIKeyIMKASKRLCBIDPK-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.05
Rot. Bonds2

About cycloocten-1-yl-(2-methyloxolan-3-yl)methanol

cycloocten-1-yl-(2-methyloxolan-3-yl)methanol (PubChem CID 106657618) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is cycloocten-1-yl-(2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Namecycloocten-1-yl-(2-methyloxolan-3-yl)methanol
PubChem CID106657618
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namecycloocten-1-yl-(2-methyloxolan-3-yl)methanol
SMILESCC1OCCC1C(O)C1=CCCCCCC1
InChIInChI=1S/C14H24O2/c1-11-13(9-10-16-11)14(15)12-7-5-3-2-4-6-8-12/h7,11,13-15H,2-6,8-10H2,1H3
InChIKeyIMKASKRLCBIDPK-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cycloocten-1-yl-(2-methyloxolan-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohepten-1-yl-(2-methylcyclopentyl)methanol
CID 107181713
cyclohepten-1-yl-(2-methylcyclopropyl)methanol
CID 62078578
3,4-dihydro-2H-pyran-5-yl-(2-methyloxolan-3-yl)methanol
CID 115831448
[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]hydrazine
CID 106650596
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanol
CID 102649637
cyclohepten-1-yl(oxolan-2-yl)methanol
CID 62078402
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
cyclopenten-1-yl-(2-methylcyclopropyl)methanol
CID 62080405
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol
CID 114826734
cycloocten-1-yl-(2,2-dimethylcyclopropyl)methanol
CID 107005521
2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol
CID 106657571

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-(2-methyloxolan-3-yl)methanol?
The IUPAC name of cycloocten-1-yl-(2-methyloxolan-3-yl)methanol (CID 106657618) is cycloocten-1-yl-(2-methyloxolan-3-yl)methanol.
What is the SMILES notation for cycloocten-1-yl-(2-methyloxolan-3-yl)methanol?
The canonical SMILES for cycloocten-1-yl-(2-methyloxolan-3-yl)methanol is CC1OCCC1C(O)C1=CCCCCCC1.
What is the InChIKey of cycloocten-1-yl-(2-methyloxolan-3-yl)methanol?
The InChIKey is IMKASKRLCBIDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-13(9-10-16-11)14(15)12-7-5-3-2-4-6-8-12/h7,11,13-15H,2-6,8-10H2,1H3.
What are the key properties of cycloocten-1-yl-(2-methyloxolan-3-yl)methanol?
cycloocten-1-yl-(2-methyloxolan-3-yl)methanol has a molecular weight of 224.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-(2-methyloxolan-3-yl)methanol is sourced from PubChem (CID 106657618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).