4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane

C17H34O4 — CID 143795506

IUPAC4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane
SMILESCC.CC1(C)OCC(CC2CCCC(CCCCO)O2)O1
InChIInChI=1S/C15H28O4.C2H6/c1-15(2)17-11-14(19-15)10-13-8-5-7-12(18-13)6-3-4-9-16;1-2/h12-14,16H,3-11H2,1-2H3;1-2H3
InChIKeyGKSUVTGRLCALLX-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.65
Rot. Bonds6

About 4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane

4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane (PubChem CID 143795506) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane.

Molecular Properties

Compound Name4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane
PubChem CID143795506
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane
SMILESCC.CC1(C)OCC(CC2CCCC(CCCCO)O2)O1
InChIInChI=1S/C15H28O4.C2H6/c1-15(2)17-11-14(19-15)10-13-8-5-7-12(18-13)6-3-4-9-16;1-2/h12-14,16H,3-11H2,1-2H3;1-2H3
InChIKeyGKSUVTGRLCALLX-UHFFFAOYSA-N
XLogP3.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane?
The IUPAC name of 4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane (CID 143795506) is 4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane.
What is the SMILES notation for 4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane?
The canonical SMILES for 4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane is CC.CC1(C)OCC(CC2CCCC(CCCCO)O2)O1.
What is the InChIKey of 4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane?
The InChIKey is GKSUVTGRLCALLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4.C2H6/c1-15(2)17-11-14(19-15)10-13-8-5-7-12(18-13)6-3-4-9-16;1-2/h12-14,16H,3-11H2,1-2H3;1-2H3.
What are the key properties of 4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane?
4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane has a molecular weight of 302.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]oxan-2-yl]butan-1-ol;ethane is sourced from PubChem (CID 143795506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).