(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol

C11H20O2 — CID 81358520

IUPAC(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol
SMILESCCCC1CC2(CCO1)CC2CO
InChIInChI=1S/C11H20O2/c1-2-3-10-7-11(4-5-13-10)6-9(11)8-12/h9-10,12H,2-8H2,1H3
InChIKeyNKSIDJPFDMXZNO-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.96
Rot. Bonds3

About (5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol

(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol (PubChem CID 81358520) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol.

Molecular Properties

Compound Name(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol
PubChem CID81358520
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol
SMILESCCCC1CC2(CCO1)CC2CO
InChIInChI=1S/C11H20O2/c1-2-3-10-7-11(4-5-13-10)6-9(11)8-12/h9-10,12H,2-8H2,1H3
InChIKeyNKSIDJPFDMXZNO-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol?
The IUPAC name of (5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol (CID 81358520) is (5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol.
What is the SMILES notation for (5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol?
The canonical SMILES for (5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol is CCCC1CC2(CCO1)CC2CO.
What is the InChIKey of (5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol?
The InChIKey is NKSIDJPFDMXZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-10-7-11(4-5-13-10)6-9(11)8-12/h9-10,12H,2-8H2,1H3.
What are the key properties of (5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol?
(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol has a molecular weight of 184.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol is sourced from PubChem (CID 81358520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).