(7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane

C16H28O4 — CID 59070553

IUPAC(7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
SMILESCCC1OC2(CCCCO2)[C@@]2(CCCCO2)O[C@H]1CC
InChIInChI=1S/C16H28O4/c1-3-13-14(4-2)20-16(10-6-8-12-18-16)15(19-13)9-5-7-11-17-15/h13-14H,3-12H2,1-2H3/t13-,14?,15+,16?/m0/s1
InChIKeyURUOHODEHMGFNQ-JWMHWRSXSA-N
MW284.40 g/mol
LogP3.38
Rot. Bonds2

About (7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane

(7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane (PubChem CID 59070553) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane.

Molecular Properties

Compound Name(7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
PubChem CID59070553
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
SMILESCCC1OC2(CCCCO2)[C@@]2(CCCCO2)O[C@H]1CC
InChIInChI=1S/C16H28O4/c1-3-13-14(4-2)20-16(10-6-8-12-18-16)15(19-13)9-5-7-11-17-15/h13-14H,3-12H2,1-2H3/t13-,14?,15+,16?/m0/s1
InChIKeyURUOHODEHMGFNQ-JWMHWRSXSA-N
XLogP3.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane?
The IUPAC name of (7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane (CID 59070553) is (7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane.
What is the SMILES notation for (7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane?
The canonical SMILES for (7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane is CCC1OC2(CCCCO2)[C@@]2(CCCCO2)O[C@H]1CC.
What is the InChIKey of (7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane?
The InChIKey is URUOHODEHMGFNQ-JWMHWRSXSA-N. The full InChI is InChI=1S/C16H28O4/c1-3-13-14(4-2)20-16(10-6-8-12-18-16)15(19-13)9-5-7-11-17-15/h13-14H,3-12H2,1-2H3/t13-,14?,15+,16?/m0/s1.
What are the key properties of (7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane?
(7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane has a molecular weight of 284.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane is sourced from PubChem (CID 59070553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).