cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol

C13H22O2 — CID 114826734

IUPACcyclohepten-1-yl-(5-methyloxolan-3-yl)methanol
SMILESCC1CC(C(O)C2=CCCCCC2)CO1
InChIInChI=1S/C13H22O2/c1-10-8-12(9-15-10)13(14)11-6-4-2-3-5-7-11/h6,10,12-14H,2-5,7-9H2,1H3
InChIKeyODGOTACSCHPNQE-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.66
Rot. Bonds2

About cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol

cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol (PubChem CID 114826734) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Namecyclohepten-1-yl-(5-methyloxolan-3-yl)methanol
PubChem CID114826734
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namecyclohepten-1-yl-(5-methyloxolan-3-yl)methanol
SMILESCC1CC(C(O)C2=CCCCCC2)CO1
InChIInChI=1S/C13H22O2/c1-10-8-12(9-15-10)13(14)11-6-4-2-3-5-7-11/h6,10,12-14H,2-5,7-9H2,1H3
InChIKeyODGOTACSCHPNQE-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.66
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

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CID 106651053
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CID 62078578
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CID 62078752
cycloocten-1-yl-(2-methyloxolan-3-yl)methanol
CID 106657618
cyclohepten-1-yl-(2-methylcyclopentyl)methanol
CID 107181713
cyclohepten-1-yl(oxolan-2-yl)methanol
CID 62078402
cyclopenten-1-yl-(2-methylcyclopropyl)methanol
CID 62080405
cycloocten-1-yl-(2,2-dimethylcyclopropyl)methanol
CID 107005521
(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826660
6-bicyclo[3.1.0]hexanyl(cycloocten-1-yl)methanol
CID 106657681
(5-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 115820673
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methyloxolan-3-yl)methanol
CID 114826706

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol?
The IUPAC name of cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol (CID 114826734) is cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol.
What is the SMILES notation for cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol?
The canonical SMILES for cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol is CC1CC(C(O)C2=CCCCCC2)CO1.
What is the InChIKey of cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol?
The InChIKey is ODGOTACSCHPNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-8-12(9-15-10)13(14)11-6-4-2-3-5-7-11/h6,10,12-14H,2-5,7-9H2,1H3.
What are the key properties of cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol?
cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol has a molecular weight of 210.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(5-methyloxolan-3-yl)methanol is sourced from PubChem (CID 114826734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).