4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol

C17H32O2 — CID 114621893

IUPAC4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
SMILESCCCC1CCC(O)(C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H32O2/c1-6-7-13-8-10-17(18,11-9-13)14-12-15(2,3)19-16(14,4)5/h13-14,18H,6-12H2,1-5H3
InChIKeyJPSXVKZYYWJKQG-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.30
Rot. Bonds3

About 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol

4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol (PubChem CID 114621893) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
PubChem CID114621893
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
SMILESCCCC1CCC(O)(C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H32O2/c1-6-7-13-8-10-17(18,11-9-13)14-12-15(2,3)19-16(14,4)5/h13-14,18H,6-12H2,1-5H3
InChIKeyJPSXVKZYYWJKQG-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol?
The IUPAC name of 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol (CID 114621893) is 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol?
The canonical SMILES for 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol is CCCC1CCC(O)(C2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol?
The InChIKey is JPSXVKZYYWJKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-6-7-13-8-10-17(18,11-9-13)14-12-15(2,3)19-16(14,4)5/h13-14,18H,6-12H2,1-5H3.
What are the key properties of 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol?
4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 114621893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).