(2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane

C19H26O2 — CID 70180854

IUPAC(2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane
SMILESC=CC[C@H]1CO[C@H](C2CCC(c3ccccc3)CC2)CO1
InChIInChI=1S/C19H26O2/c1-2-6-18-13-21-19(14-20-18)17-11-9-16(10-12-17)15-7-4-3-5-8-15/h2-5,7-8,16-19H,1,6,9-14H2/t16?,17?,18-,19-/m0/s1
InChIKeyWCIBYWNAVMETEJ-BTRQGYIVSA-N
MW286.42 g/mol
LogP4.32
Rot. Bonds4

About (2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane

(2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane (PubChem CID 70180854) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane.

Molecular Properties

Compound Name(2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane
PubChem CID70180854
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane
SMILESC=CC[C@H]1CO[C@H](C2CCC(c3ccccc3)CC2)CO1
InChIInChI=1S/C19H26O2/c1-2-6-18-13-21-19(14-20-18)17-11-9-16(10-12-17)15-7-4-3-5-8-15/h2-5,7-8,16-19H,1,6,9-14H2/t16?,17?,18-,19-/m0/s1
InChIKeyWCIBYWNAVMETEJ-BTRQGYIVSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane?
The IUPAC name of (2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane (CID 70180854) is (2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane.
What is the SMILES notation for (2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane?
The canonical SMILES for (2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane is C=CC[C@H]1CO[C@H](C2CCC(c3ccccc3)CC2)CO1.
What is the InChIKey of (2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane?
The InChIKey is WCIBYWNAVMETEJ-BTRQGYIVSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-6-18-13-21-19(14-20-18)17-11-9-16(10-12-17)15-7-4-3-5-8-15/h2-5,7-8,16-19H,1,6,9-14H2/t16?,17?,18-,19-/m0/s1.
What are the key properties of (2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane?
(2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane has a molecular weight of 286.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(4-phenylcyclohexyl)-5-prop-2-enyl-1,4-dioxane is sourced from PubChem (CID 70180854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).