trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol

C16H26O3 — CID 15195647

IUPACtrans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol
SMILESO[C@@]1(C2=CCCCC2)C[C@@H]1CCOC1CCCCO1
InChIInChI=1S/C16H26O3/c17-16(13-6-2-1-3-7-13)12-14(16)9-11-19-15-8-4-5-10-18-15/h6,14-15,17H,1-5,7-12H2/t14-,15?,16+/m0/s1
InChIKeyJIUPCXKBMGJSOH-DLDKDUQYSA-N
MW266.38 g/mol
LogP3.17
Rot. Bonds5

About trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol

trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol (PubChem CID 15195647) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol
PubChem CID15195647
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Nametrans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol
SMILESO[C@@]1(C2=CCCCC2)C[C@@H]1CCOC1CCCCO1
InChIInChI=1S/C16H26O3/c17-16(13-6-2-1-3-7-13)12-14(16)9-11-19-15-8-4-5-10-18-15/h6,14-15,17H,1-5,7-12H2/t14-,15?,16+/m0/s1
InChIKeyJIUPCXKBMGJSOH-DLDKDUQYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol?
The IUPAC name of trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol (CID 15195647) is trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol.
What is the SMILES notation for trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol?
The canonical SMILES for trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol is O[C@@]1(C2=CCCCC2)C[C@@H]1CCOC1CCCCO1.
What is the InChIKey of trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol?
The InChIKey is JIUPCXKBMGJSOH-DLDKDUQYSA-N. The full InChI is InChI=1S/C16H26O3/c17-16(13-6-2-1-3-7-13)12-14(16)9-11-19-15-8-4-5-10-18-15/h6,14-15,17H,1-5,7-12H2/t14-,15?,16+/m0/s1.
What are the key properties of trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol?
trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-(oxan-2-yloxy)ethyl]cyclopropan-1-ol is sourced from PubChem (CID 15195647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).