3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol

C15H28O3 — CID 14336611

IUPAC3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
SMILESCC1C(C2(C)CCC(C(C)(C)O)O2)CCC1(C)O
InChIInChI=1S/C15H28O3/c1-10-11(6-8-14(10,4)17)15(5)9-7-12(18-15)13(2,3)16/h10-12,16-17H,6-9H2,1-5H3
InChIKeyCTTSYRDQSMAGNT-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.49
Rot. Bonds2

About 3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol

3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol (PubChem CID 14336611) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
PubChem CID14336611
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
SMILESCC1C(C2(C)CCC(C(C)(C)O)O2)CCC1(C)O
InChIInChI=1S/C15H28O3/c1-10-11(6-8-14(10,4)17)15(5)9-7-12(18-15)13(2,3)16/h10-12,16-17H,6-9H2,1-5H3
InChIKeyCTTSYRDQSMAGNT-UHFFFAOYSA-N
XLogP2.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol (CID 14336611) is 3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol is CC1C(C2(C)CCC(C(C)(C)O)O2)CCC1(C)O.
What is the InChIKey of 3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
The InChIKey is CTTSYRDQSMAGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-10-11(6-8-14(10,4)17)15(5)9-7-12(18-15)13(2,3)16/h10-12,16-17H,6-9H2,1-5H3.
What are the key properties of 3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol?
3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 14336611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).