(3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol

C14H22O3 — CID 143815062

IUPAC(3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol
SMILESCC(C)=CC[C@H]1OC1C1[C@H](O)CCC[C@]12CO2
InChIInChI=1S/C14H22O3/c1-9(2)5-6-11-13(17-11)12-10(15)4-3-7-14(12)8-16-14/h5,10-13,15H,3-4,6-8H2,1-2H3/t10-,11-,12?,13?,14+/m1/s1
InChIKeyQCLQVUGNEXMQMH-AYZDXNEBSA-N
MW238.33 g/mol
LogP2.04
Rot. Bonds3

About (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol

(3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol (PubChem CID 143815062) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol.

Molecular Properties

Compound Name(3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol
PubChem CID143815062
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol
SMILESCC(C)=CC[C@H]1OC1C1[C@H](O)CCC[C@]12CO2
InChIInChI=1S/C14H22O3/c1-9(2)5-6-11-13(17-11)12-10(15)4-3-7-14(12)8-16-14/h5,10-13,15H,3-4,6-8H2,1-2H3/t10-,11-,12?,13?,14+/m1/s1
InChIKeyQCLQVUGNEXMQMH-AYZDXNEBSA-N
XLogP2.04
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol with MolForge

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Launch Full Analysis

Related Compounds

Fumagillol
CID 222778
(3S,4R,5R,6R)-5-methoxy-4-[(2R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane-4,6-diol
CID 51049447
4-(2-Methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro(2.5)octane-5,6-diol
CID 128394
(3R,5S,6R)-5-methoxy-4-[(2S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
CID 51049442
(4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
CID 133053849
5-Demethoxyfumagillol
CID 46192947
4-(1,5-Dimethyl-1,2-epoxy-4-hexenyl)-5-methoxy-1-oxaspiro(2.5)octan-6-ol
CID 219089
Cordycol
CID 71519647
(3R,4R,5S,6S)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane-5,6-diol
CID 163063636
FR 65814
CID 13848821
(3R,4R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
CID 12309928
(3R,4R,5S,6S)-4-[(2R,3S)-2-Methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane-5,6-diol
CID 13848819

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol?
The IUPAC name of (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol (CID 143815062) is (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol.
What is the SMILES notation for (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol?
The canonical SMILES for (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol is CC(C)=CC[C@H]1OC1C1[C@H](O)CCC[C@]12CO2.
What is the InChIKey of (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol?
The InChIKey is QCLQVUGNEXMQMH-AYZDXNEBSA-N. The full InChI is InChI=1S/C14H22O3/c1-9(2)5-6-11-13(17-11)12-10(15)4-3-7-14(12)8-16-14/h5,10-13,15H,3-4,6-8H2,1-2H3/t10-,11-,12?,13?,14+/m1/s1.
What are the key properties of (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol?
(3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol has a molecular weight of 238.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-4-[(2R,3R)-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-5-ol is sourced from PubChem (CID 143815062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).