cycloheptyl-(3-methyloxolan-2-yl)methanol

C13H24O2 — CID 115829556

IUPACcycloheptyl-(3-methyloxolan-2-yl)methanol
SMILESCC1CCOC1C(O)C1CCCCCC1
InChIInChI=1S/C13H24O2/c1-10-8-9-15-13(10)12(14)11-6-4-2-3-5-7-11/h10-14H,2-9H2,1H3
InChIKeyQAWOUIJURCMSRD-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds2

About cycloheptyl-(3-methyloxolan-2-yl)methanol

cycloheptyl-(3-methyloxolan-2-yl)methanol (PubChem CID 115829556) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is cycloheptyl-(3-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Namecycloheptyl-(3-methyloxolan-2-yl)methanol
PubChem CID115829556
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namecycloheptyl-(3-methyloxolan-2-yl)methanol
SMILESCC1CCOC1C(O)C1CCCCCC1
InChIInChI=1S/C13H24O2/c1-10-8-9-15-13(10)12(14)11-6-4-2-3-5-7-11/h10-14H,2-9H2,1H3
InChIKeyQAWOUIJURCMSRD-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(3-methyloxolan-2-yl)methanol
CID 115840675
2-cyclohexyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115842269
[cyclohexyl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105282131
[cyclopentyl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105282506
cyclooctyl(cyclopropyl)methanol
CID 80603317
1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanol
CID 115789660
(S)-cyclohexyl-[(2S)-oxolan-2-yl]methanol
CID 11240858
1-(3-methyloxolan-2-yl)butan-1-ol
CID 115780955
(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
CID 114979278
N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014218
N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine
CID 115846781
2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanol
CID 115818506

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(3-methyloxolan-2-yl)methanol?
The IUPAC name of cycloheptyl-(3-methyloxolan-2-yl)methanol (CID 115829556) is cycloheptyl-(3-methyloxolan-2-yl)methanol.
What is the SMILES notation for cycloheptyl-(3-methyloxolan-2-yl)methanol?
The canonical SMILES for cycloheptyl-(3-methyloxolan-2-yl)methanol is CC1CCOC1C(O)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(3-methyloxolan-2-yl)methanol?
The InChIKey is QAWOUIJURCMSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10-8-9-15-13(10)12(14)11-6-4-2-3-5-7-11/h10-14H,2-9H2,1H3.
What are the key properties of cycloheptyl-(3-methyloxolan-2-yl)methanol?
cycloheptyl-(3-methyloxolan-2-yl)methanol has a molecular weight of 212.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(3-methyloxolan-2-yl)methanol is sourced from PubChem (CID 115829556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).