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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxane
CID 11957882
2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 101128418
3-cyclododecyl-2,2-dimethyloxirane
CID 84820740
(2R)-2-[(2S)-but-3-en-2-yl]oxirane
CID 10103123
(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-ol
CID 13428079
(4S,5R)-5-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbonyl chloride
CID 102223369
(1R)-1-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 166449238
(4S)-4-[(2S)-hex-5-en-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 135021066
(3aR,5S,6aR)-5-[(2R)-1-fluoropropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 157100750
(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol
CID 11240621
(2R,3S)-2-[(2R)-but-3-en-2-yl]oxan-3-ol
CID 46895046
acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 71435688

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).