cycloocten-1-yl(cyclopropyl)methanol

C12H20O — CID 106651053

IUPACcycloocten-1-yl(cyclopropyl)methanol
SMILESOC(C1=CCCCCCC1)C1CC1
InChIInChI=1S/C12H20O/c13-12(11-8-9-11)10-6-4-2-1-3-5-7-10/h6,11-13H,1-5,7-9H2
InChIKeyYAWDHERTHXUIHN-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.04
Rot. Bonds2

About cycloocten-1-yl(cyclopropyl)methanol

cycloocten-1-yl(cyclopropyl)methanol (PubChem CID 106651053) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is cycloocten-1-yl(cyclopropyl)methanol.

Molecular Properties

Compound Namecycloocten-1-yl(cyclopropyl)methanol
PubChem CID106651053
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Namecycloocten-1-yl(cyclopropyl)methanol
SMILESOC(C1=CCCCCCC1)C1CC1
InChIInChI=1S/C12H20O/c13-12(11-8-9-11)10-6-4-2-1-3-5-7-10/h6,11-13H,1-5,7-9H2
InChIKeyYAWDHERTHXUIHN-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.04
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

cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
1-(cycloocten-1-yl)-2-cyclopropylethanol
CID 106657572
6-bicyclo[3.1.0]hexanyl(cycloocten-1-yl)methanol
CID 106657681
2-cyclobutyl-1-(cyclohepten-1-yl)ethanol
CID 103165442
2-cyclobutyl-1-(cycloocten-1-yl)ethanol
CID 106657591
cyclohepten-1-yl-(2-methylcyclopentyl)methanol
CID 107181713
cyclohepten-1-yl-(2-methylcyclopropyl)methanol
CID 62078578
cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol
CID 114826734
cyclohepten-1-yl(oxolan-2-yl)methanol
CID 62078402
cycloocten-1-yl-(2,2-dimethylcyclopropyl)methanol
CID 107005521
cyclohexen-1-ylmethanediol
CID 21392290
2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol
CID 106657571

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl(cyclopropyl)methanol?
The IUPAC name of cycloocten-1-yl(cyclopropyl)methanol (CID 106651053) is cycloocten-1-yl(cyclopropyl)methanol.
What is the SMILES notation for cycloocten-1-yl(cyclopropyl)methanol?
The canonical SMILES for cycloocten-1-yl(cyclopropyl)methanol is OC(C1=CCCCCCC1)C1CC1.
What is the InChIKey of cycloocten-1-yl(cyclopropyl)methanol?
The InChIKey is YAWDHERTHXUIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c13-12(11-8-9-11)10-6-4-2-1-3-5-7-10/h6,11-13H,1-5,7-9H2.
What are the key properties of cycloocten-1-yl(cyclopropyl)methanol?
cycloocten-1-yl(cyclopropyl)methanol has a molecular weight of 180.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl(cyclopropyl)methanol is sourced from PubChem (CID 106651053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).