(3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane

C15H28O2 — CID 59226844

IUPAC(3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
SMILESC=CCOC1OC(CC)(CC)[C@@H](C)[C@H](C)[C@H]1C
InChIInChI=1S/C15H28O2/c1-7-10-16-14-12(5)11(4)13(6)15(8-2,9-3)17-14/h7,11-14H,1,8-10H2,2-6H3/t11-,12-,13+,14?/m1/s1
InChIKeyHAQOEQYWWXSFHX-HABKJSAYSA-N
MW240.39 g/mol
LogP4.01
Rot. Bonds5

About (3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane

(3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane (PubChem CID 59226844) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name(3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
PubChem CID59226844
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
SMILESC=CCOC1OC(CC)(CC)[C@@H](C)[C@H](C)[C@H]1C
InChIInChI=1S/C15H28O2/c1-7-10-16-14-12(5)11(4)13(6)15(8-2,9-3)17-14/h7,11-14H,1,8-10H2,2-6H3/t11-,12-,13+,14?/m1/s1
InChIKeyHAQOEQYWWXSFHX-HABKJSAYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
The IUPAC name of (3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane (CID 59226844) is (3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane.
What is the SMILES notation for (3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
The canonical SMILES for (3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane is C=CCOC1OC(CC)(CC)[C@@H](C)[C@H](C)[C@H]1C.
What is the InChIKey of (3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
The InChIKey is HAQOEQYWWXSFHX-HABKJSAYSA-N. The full InChI is InChI=1S/C15H28O2/c1-7-10-16-14-12(5)11(4)13(6)15(8-2,9-3)17-14/h7,11-14H,1,8-10H2,2-6H3/t11-,12-,13+,14?/m1/s1.
What are the key properties of (3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
(3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane has a molecular weight of 240.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane is sourced from PubChem (CID 59226844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).