(4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane

C10H18O2 — CID 178139291

IUPAC(4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane
SMILESCC(C)O[C@@H]1OCCCC12CC2
InChIInChI=1S/C10H18O2/c1-8(2)12-9-10(5-6-10)4-3-7-11-9/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyBEUQHSMAKOYTQP-VIFPVBQESA-N
MW170.25 g/mol
LogP2.33
Rot. Bonds2

About (4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane

(4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane (PubChem CID 178139291) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane
PubChem CID178139291
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane
SMILESCC(C)O[C@@H]1OCCCC12CC2
InChIInChI=1S/C10H18O2/c1-8(2)12-9-10(5-6-10)4-3-7-11-9/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyBEUQHSMAKOYTQP-VIFPVBQESA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yloxyoxetane
CID 123446123
(3S)-2,2-difluoro-3-propan-2-yloxyoxolane
CID 170792317
(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
CID 163413881
1-methyl-9-propan-2-yloxy-7-oxa-1-azaspiro[4.4]nonane
CID 177126154
1-propan-2-yloxyspiro[3.5]nonan-3-one
CID 66367846
7-propan-2-ylspiro[2.4]heptane
CID 154526076
(2R,3S)-3-phenyl-2-propan-2-yloxyoxane
CID 101393454
2-methyloxirane;2-propan-2-yloxypropane
CID 121301937
3,3-difluoro-2-methyloxane
CID 146204349
ethane;2,3,3-trimethyloxane
CID 142059544
N-propan-2-yloxyspiro[3.4]octan-8-amine
CID 131048795
(3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol
CID 100998822

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane?
The IUPAC name of (4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane (CID 178139291) is (4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane.
What is the SMILES notation for (4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane?
The canonical SMILES for (4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane is CC(C)O[C@@H]1OCCCC12CC2.
What is the InChIKey of (4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane?
The InChIKey is BEUQHSMAKOYTQP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)12-9-10(5-6-10)4-3-7-11-9/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane?
(4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane has a molecular weight of 170.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yloxy-5-oxaspiro[2.5]octane is sourced from PubChem (CID 178139291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).