4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane

C16H28O2 — CID 89185143

IUPAC4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane
SMILESC=C[C@H](C)C1CC(C2CCCCC2)OC(C)(C)O1
InChIInChI=1S/C16H28O2/c1-5-12(2)14-11-15(18-16(3,4)17-14)13-9-7-6-8-10-13/h5,12-15H,1,6-11H2,2-4H3/t12-,14?,15?/m0/s1
InChIKeyKFIGKAPKYOBDDU-GRTSSRMGSA-N
MW252.40 g/mol
LogP4.30
Rot. Bonds3

About 4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane

4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane (PubChem CID 89185143) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane
PubChem CID89185143
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane
SMILESC=C[C@H](C)C1CC(C2CCCCC2)OC(C)(C)O1
InChIInChI=1S/C16H28O2/c1-5-12(2)14-11-15(18-16(3,4)17-14)13-9-7-6-8-10-13/h5,12-15H,1,6-11H2,2-4H3/t12-,14?,15?/m0/s1
InChIKeyKFIGKAPKYOBDDU-GRTSSRMGSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.30
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 4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane?
The IUPAC name of 4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane (CID 89185143) is 4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane.
What is the SMILES notation for 4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane?
The canonical SMILES for 4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane is C=C[C@H](C)C1CC(C2CCCCC2)OC(C)(C)O1.
What is the InChIKey of 4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane?
The InChIKey is KFIGKAPKYOBDDU-GRTSSRMGSA-N. The full InChI is InChI=1S/C16H28O2/c1-5-12(2)14-11-15(18-16(3,4)17-14)13-9-7-6-8-10-13/h5,12-15H,1,6-11H2,2-4H3/t12-,14?,15?/m0/s1.
What are the key properties of 4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane?
4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane has a molecular weight of 252.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-but-3-en-2-yl]-6-cyclohexyl-2,2-dimethyl-1,3-dioxane is sourced from PubChem (CID 89185143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).