5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol

C16H30O3 — CID 15528269

IUPAC5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol
SMILESC=C(CC(O)C(C)(C)C)C1(CC)OCC(C)(C)CO1
InChIInChI=1S/C16H30O3/c1-8-16(18-10-15(6,7)11-19-16)12(2)9-13(17)14(3,4)5/h13,17H,2,8-11H2,1,3-7H3
InChIKeyXBVQPUBUOFCBPS-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.52
Rot. Bonds4

About 5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol

5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol (PubChem CID 15528269) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol
PubChem CID15528269
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol
SMILESC=C(CC(O)C(C)(C)C)C1(CC)OCC(C)(C)CO1
InChIInChI=1S/C16H30O3/c1-8-16(18-10-15(6,7)11-19-16)12(2)9-13(17)14(3,4)5/h13,17H,2,8-11H2,1,3-7H3
InChIKeyXBVQPUBUOFCBPS-UHFFFAOYSA-N
XLogP3.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol?
The IUPAC name of 5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol (CID 15528269) is 5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol.
What is the SMILES notation for 5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol?
The canonical SMILES for 5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol is C=C(CC(O)C(C)(C)C)C1(CC)OCC(C)(C)CO1.
What is the InChIKey of 5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol?
The InChIKey is XBVQPUBUOFCBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-8-16(18-10-15(6,7)11-19-16)12(2)9-13(17)14(3,4)5/h13,17H,2,8-11H2,1,3-7H3.
What are the key properties of 5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol?
5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol has a molecular weight of 270.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5,5-dimethyl-1,3-dioxan-2-yl)-2,2-dimethylhex-5-en-3-ol is sourced from PubChem (CID 15528269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).