3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol

C15H28O2 — CID 114624248

IUPAC3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol
SMILESCC1(C)CC(C2CCCCC(O)C2)C(C)(C)O1
InChIInChI=1S/C15H28O2/c1-14(2)10-13(15(3,4)17-14)11-7-5-6-8-12(16)9-11/h11-13,16H,5-10H2,1-4H3
InChIKeyLABJFVTZFOAKDQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.52
Rot. Bonds1

About 3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol

3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol (PubChem CID 114624248) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol
PubChem CID114624248
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol
SMILESCC1(C)CC(C2CCCCC(O)C2)C(C)(C)O1
InChIInChI=1S/C15H28O2/c1-14(2)10-13(15(3,4)17-14)11-7-5-6-8-12(16)9-11/h11-13,16H,5-10H2,1-4H3
InChIKeyLABJFVTZFOAKDQ-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382
3-(2-chlorocyclohexyl)-2,2,5,5-tetramethyloxolane
CID 114623939
2-(2,2,5,5-tetramethyloxolan-3-yl)azepane
CID 114624050
trans-(1R,3R)-3-cyclopentylcyclohexan-1-ol
CID 66963449
trans-(1R,3R)-3-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 99645764
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814070
8-(2,2,5,5-tetramethyloxolan-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 114623876
2-(2,2,5,5-tetramethyloxolan-3-yl)cyclopentan-1-one
CID 114621794
(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 7188325
(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 640668
3-(3,4-dimethylcyclohexyl)cycloheptan-1-ol
CID 64739881
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol?
The IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol (CID 114624248) is 3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol.
What is the SMILES notation for 3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol?
The canonical SMILES for 3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol is CC1(C)CC(C2CCCCC(O)C2)C(C)(C)O1.
What is the InChIKey of 3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol?
The InChIKey is LABJFVTZFOAKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-14(2)10-13(15(3,4)17-14)11-7-5-6-8-12(16)9-11/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol?
3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-ol is sourced from PubChem (CID 114624248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).