cyclohepten-1-yl(oxolan-2-yl)methanol

C12H20O2 — CID 62078402

IUPACcyclohepten-1-yl(oxolan-2-yl)methanol
SMILESOC(C1=CCCCCC1)C1CCCO1
InChIInChI=1S/C12H20O2/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h6,11-13H,1-5,7-9H2
InChIKeyYSZHMAYWJGWWOY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.42
Rot. Bonds2

About cyclohepten-1-yl(oxolan-2-yl)methanol

cyclohepten-1-yl(oxolan-2-yl)methanol (PubChem CID 62078402) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclohepten-1-yl(oxolan-2-yl)methanol.

Molecular Properties

Compound Namecyclohepten-1-yl(oxolan-2-yl)methanol
PubChem CID62078402
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namecyclohepten-1-yl(oxolan-2-yl)methanol
SMILESOC(C1=CCCCCC1)C1CCCO1
InChIInChI=1S/C12H20O2/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h6,11-13H,1-5,7-9H2
InChIKeyYSZHMAYWJGWWOY-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
cycloocten-1-yl-(2-methyloxolan-3-yl)methanol
CID 106657618
1-(cycloocten-1-yl)-2-(oxolan-2-yl)ethanol
CID 106657616
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
6-bicyclo[3.1.0]hexanyl(cycloocten-1-yl)methanol
CID 106657681
cyclohepten-1-yl-(2-methylcyclopropyl)methanol
CID 62078578
cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol
CID 114826734
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
2,3-dihydrofuran-5-yl(oxan-2-yl)methanol
CID 102653981

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(oxolan-2-yl)methanol?
The IUPAC name of cyclohepten-1-yl(oxolan-2-yl)methanol (CID 62078402) is cyclohepten-1-yl(oxolan-2-yl)methanol.
What is the SMILES notation for cyclohepten-1-yl(oxolan-2-yl)methanol?
The canonical SMILES for cyclohepten-1-yl(oxolan-2-yl)methanol is OC(C1=CCCCCC1)C1CCCO1.
What is the InChIKey of cyclohepten-1-yl(oxolan-2-yl)methanol?
The InChIKey is YSZHMAYWJGWWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h6,11-13H,1-5,7-9H2.
What are the key properties of cyclohepten-1-yl(oxolan-2-yl)methanol?
cyclohepten-1-yl(oxolan-2-yl)methanol has a molecular weight of 196.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(oxolan-2-yl)methanol is sourced from PubChem (CID 62078402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).