trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane

C14H26O2Se — CID 10402818

IUPACtrans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane
SMILESCO[C@H]1CCCC[C@@H]1[Se][C@@H]1CCCC[C@H]1OC
InChIInChI=1S/C14H26O2Se/c1-15-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16-2/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14+
InChIKeyULXAFVUNSBTUQJ-KPWCQOOUSA-N
MW305.32 g/mol
LogP3.45
Rot. Bonds4

About trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane

trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane (PubChem CID 10402818) has the molecular formula C14H26O2Se and a molecular weight of 305.32 g/mol. Its IUPAC name is trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane
PubChem CID10402818
Molecular FormulaC14H26O2Se
Molecular Weight305.32 g/mol
Exact Mass306.11
IUPAC Nametrans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane
SMILESCO[C@H]1CCCC[C@@H]1[Se][C@@H]1CCCC[C@H]1OC
InChIInChI=1S/C14H26O2Se/c1-15-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16-2/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14+
InChIKeyULXAFVUNSBTUQJ-KPWCQOOUSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane?
The IUPAC name of trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane (CID 10402818) is trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane?
The canonical SMILES for trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane is CO[C@H]1CCCC[C@@H]1[Se][C@@H]1CCCC[C@H]1OC.
What is the InChIKey of trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane?
The InChIKey is ULXAFVUNSBTUQJ-KPWCQOOUSA-N. The full InChI is InChI=1S/C14H26O2Se/c1-15-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16-2/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14+.
What are the key properties of trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane?
trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane has a molecular weight of 305.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-methoxy-2-[(1S,2S)-2-methoxycyclohexyl]selanylcyclohexane is sourced from PubChem (CID 10402818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).