(4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane

C15H28O2 — CID 58658291

IUPAC(4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane
SMILESC=CCCCO[C@@H]1OC(CC)C(C)[C@H](C)C1C
InChIInChI=1S/C15H28O2/c1-6-8-9-10-16-15-13(5)11(3)12(4)14(7-2)17-15/h6,11-15H,1,7-10H2,2-5H3/t11-,12?,13?,14?,15+/m0/s1
InChIKeyCFUMBYPIULPTTR-WXVWGLJDSA-N
MW240.39 g/mol
LogP4.01
Rot. Bonds6

About (4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane

(4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane (PubChem CID 58658291) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane.

Molecular Properties

Compound Name(4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane
PubChem CID58658291
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane
SMILESC=CCCCO[C@@H]1OC(CC)C(C)[C@H](C)C1C
InChIInChI=1S/C15H28O2/c1-6-8-9-10-16-15-13(5)11(3)12(4)14(7-2)17-15/h6,11-15H,1,7-10H2,2-5H3/t11-,12?,13?,14?,15+/m0/s1
InChIKeyCFUMBYPIULPTTR-WXVWGLJDSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane?
The IUPAC name of (4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane (CID 58658291) is (4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane.
What is the SMILES notation for (4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane?
The canonical SMILES for (4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane is C=CCCCO[C@@H]1OC(CC)C(C)[C@H](C)C1C.
What is the InChIKey of (4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane?
The InChIKey is CFUMBYPIULPTTR-WXVWGLJDSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-8-9-10-16-15-13(5)11(3)12(4)14(7-2)17-15/h6,11-15H,1,7-10H2,2-5H3/t11-,12?,13?,14?,15+/m0/s1.
What are the key properties of (4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane?
(4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane has a molecular weight of 240.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane is sourced from PubChem (CID 58658291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).