6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol

C17H24O3 — CID 14783174

IUPAC6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol
SMILESC=C(CCCC1OCCCO1)CC(O)c1ccccc1
InChIInChI=1S/C17H24O3/c1-14(7-5-10-17-19-11-6-12-20-17)13-16(18)15-8-3-2-4-9-15/h2-4,8-9,16-18H,1,5-7,10-13H2
InChIKeyFAYNYZUPKINTKS-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.60
Rot. Bonds7

About 6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol

6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol (PubChem CID 14783174) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol.

Molecular Properties

Compound Name6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol
PubChem CID14783174
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol
SMILESC=C(CCCC1OCCCO1)CC(O)c1ccccc1
InChIInChI=1S/C17H24O3/c1-14(7-5-10-17-19-11-6-12-20-17)13-16(18)15-8-3-2-4-9-15/h2-4,8-9,16-18H,1,5-7,10-13H2
InChIKeyFAYNYZUPKINTKS-UHFFFAOYSA-N
XLogP3.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.60
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 6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol?
The IUPAC name of 6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol (CID 14783174) is 6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol.
What is the SMILES notation for 6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol?
The canonical SMILES for 6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol is C=C(CCCC1OCCCO1)CC(O)c1ccccc1.
What is the InChIKey of 6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol?
The InChIKey is FAYNYZUPKINTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-14(7-5-10-17-19-11-6-12-20-17)13-16(18)15-8-3-2-4-9-15/h2-4,8-9,16-18H,1,5-7,10-13H2.
What are the key properties of 6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol?
6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxan-2-yl)-3-methylidene-1-phenylhexan-1-ol is sourced from PubChem (CID 14783174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).