[(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol

C11H18O2 — CID 134973228

IUPAC[(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol
SMILESCC(C)=CC/C=C/C[C@]1(CO)CO1
InChIInChI=1S/C11H18O2/c1-10(2)6-4-3-5-7-11(8-12)9-13-11/h3,5-6,12H,4,7-9H2,1-2H3/b5-3+/t11-/m0/s1
InChIKeyAYWWLIPWUBGWFY-TZNOJPMFSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds5

About [(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol

[(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol (PubChem CID 134973228) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol
PubChem CID134973228
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol
SMILESCC(C)=CC/C=C/C[C@]1(CO)CO1
InChIInChI=1S/C11H18O2/c1-10(2)6-4-3-5-7-11(8-12)9-13-11/h3,5-6,12H,4,7-9H2,1-2H3/b5-3+/t11-/m0/s1
InChIKeyAYWWLIPWUBGWFY-TZNOJPMFSA-N
XLogP2.05
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Allyl glycidol
CID 129703128
[(2R,3S)-3-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 11073664
(Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol
CID 11789929
[(2S)-2-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 11804861
[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 14779171
(E)-(2-(4,8-Dimethylnona-3,7-dien-1-yl)oxiran-2-yl)methanol
CID 60147461
[(2S)-2-prop-2-enyloxiran-2-yl]methanol
CID 131063625
[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 11768817
[2-Methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 14779170
(E)-2-methylhept-4-ene-1,2-diol
CID 19893264
4-Methyl-1-(oxiran-2-yl)pent-3-en-1-ol
CID 23045524
(E)-2-methyl-1-(2-methyloxiran-2-yl)non-3-en-1-ol
CID 23111541

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol (CID 134973228) is [(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol is CC(C)=CC/C=C/C[C@]1(CO)CO1.
What is the InChIKey of [(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol?
The InChIKey is AYWWLIPWUBGWFY-TZNOJPMFSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)6-4-3-5-7-11(8-12)9-13-11/h3,5-6,12H,4,7-9H2,1-2H3/b5-3+/t11-/m0/s1.
What are the key properties of [(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol?
[(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol has a molecular weight of 182.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol is sourced from PubChem (CID 134973228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).