(1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol

C15H28O2 — CID 102277022

IUPAC(1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol
SMILESCCCCC/C=C\[C@H]1O[C@@H]1[C@H](O)CCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-8-10-12-14-15(17-14)13(16)11-9-6-4-2/h10,12-16H,3-9,11H2,1-2H3/b12-10-/t13-,14-,15-/m1/s1
InChIKeyFUERTMWILJPFJA-HQZAUCPKSA-N
MW240.39 g/mol
LogP3.83
Rot. Bonds10

About (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol

(1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol (PubChem CID 102277022) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol
PubChem CID102277022
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol
SMILESCCCCC/C=C\[C@H]1O[C@@H]1[C@H](O)CCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-8-10-12-14-15(17-14)13(16)11-9-6-4-2/h10,12-16H,3-9,11H2,1-2H3/b12-10-/t13-,14-,15-/m1/s1
InChIKeyFUERTMWILJPFJA-HQZAUCPKSA-N
XLogP3.83
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl (E)-10-[3-(1-hydroxyhexyl)oxiran-2-yl]dec-9-enoate
CID 100968318
1-[(2S,3S)-3-methyloxiran-2-yl]heptan-1-ol
CID 101093236
1-(3-hexyloxiran-2-yl)hexan-1-ol
CID 123301383
(Z)-tridec-7-en-2-ol
CID 89138962
(Z)-octacos-19-ene-10,11-diol
CID 87651448
1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
CID 10419307
octacos-21-en-10-ol
CID 163011476
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
icos-9-en-2-ol
CID 91416664
(Z)-henicos-12-en-2-ol
CID 141141779
henicosa-6,15-dien-10-ol
CID 141379717
heptadec-9-en-2-ol
CID 54154410

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol?
The IUPAC name of (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol (CID 102277022) is (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol.
What is the SMILES notation for (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol?
The canonical SMILES for (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol is CCCCC/C=C\[C@H]1O[C@@H]1[C@H](O)CCCCC.
What is the InChIKey of (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol?
The InChIKey is FUERTMWILJPFJA-HQZAUCPKSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-7-8-10-12-14-15(17-14)13(16)11-9-6-4-2/h10,12-16H,3-9,11H2,1-2H3/b12-10-/t13-,14-,15-/m1/s1.
What are the key properties of (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol?
(1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]hexan-1-ol is sourced from PubChem (CID 102277022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).