Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane

C₁₅H₂₄O — CID 102073160

About Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane

Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane (PubChem CID 102073160) has the molecular formula C₁₅H₂₄O and a molecular weight of 220.36 g/mol. Its IUPAC name is cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane.

Molecular Properties

• Compound Name: Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane
• PubChem CID: 102073160
• Molecular Formula: C₁₅H₂₄O
• Molecular Weight: 220.36 g/mol
• Exact Mass: 220.18
• IUPAC Name: cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane
• SMILES: C=CCO[C@@]1(C(=C)C)CCCC[C@H]1C(=C)C
• InChI: InChI=1S/C15H24O/c1-6-11-16-15(13(4)5)10-8-7-9-14(15)12(2)3/h6,14H,1-2,4,7-11H2,3,5H3/t14-,15+/m0/s1
• InChIKey: SVKWAFSXEIYIRS-LSDHHAIUSA-N
• XLogP: 4.27
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.36
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane?

The IUPAC name of Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane (CID 102073160) is cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane.

What is the SMILES notation for Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane?

The canonical SMILES for Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane is C=CCO[C@@]1(C(=C)C)CCCC[C@H]1C(=C)C.

What is the InChIKey of Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane?

The InChIKey is SVKWAFSXEIYIRS-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H24O/c1-6-11-16-15(13(4)5)10-8-7-9-14(15)12(2)3/h6,14H,1-2,4,7-11H2,3,5H3/t14-,15+/m0/s1.

What are the key properties of Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane?

Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane has a molecular weight of 220.36 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Cis-(1S,2S)-1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 102073160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102073160 — identifiers, structure, computed properties (public domain)

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