(2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane

C15H24O — CID 165415543

IUPAC(2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane
SMILESCC1=CC[C@@]2(CC1)[C@H](C)CC[C@@H]2[C@@]1(C)CO1
InChIInChI=1S/C15H24O/c1-11-6-8-15(9-7-11)12(2)4-5-13(15)14(3)10-16-14/h6,12-13H,4-5,7-10H2,1-3H3/t12-,13-,14-,15-/m1/s1
InChIKeyXREXDKYOCZBYJA-KBUPBQIOSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds1

About (2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane

(2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane (PubChem CID 165415543) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane.

Molecular Properties

Compound Name(2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane
PubChem CID165415543
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane
SMILESCC1=CC[C@@]2(CC1)[C@H](C)CC[C@@H]2[C@@]1(C)CO1
InChIInChI=1S/C15H24O/c1-11-6-8-15(9-7-11)12(2)4-5-13(15)14(3)10-16-14/h6,12-13H,4-5,7-10H2,1-3H3/t12-,13-,14-,15-/m1/s1
InChIKeyXREXDKYOCZBYJA-KBUPBQIOSA-N
XLogP3.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane?
The IUPAC name of (2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane (CID 165415543) is (2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane.
What is the SMILES notation for (2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane?
The canonical SMILES for (2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane is CC1=CC[C@@]2(CC1)[C@H](C)CC[C@@H]2[C@@]1(C)CO1.
What is the InChIKey of (2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane?
The InChIKey is XREXDKYOCZBYJA-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-8-15(9-7-11)12(2)4-5-13(15)14(3)10-16-14/h6,12-13H,4-5,7-10H2,1-3H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane?
(2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane has a molecular weight of 220.36 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane is sourced from PubChem (CID 165415543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).