(3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane

C24H32O2 — CID 59386475

IUPAC(3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane
SMILESCC#CC#CC#CC#CCCC(CC)O[C@@H]1OC(CC)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C24H32O2/c1-7-10-11-12-13-14-15-16-17-18-22(8-2)25-24-21(6)19(4)20(5)23(9-3)26-24/h19-24H,8-9,17-18H2,1-6H3/t19-,20+,21?,22?,23?,24+/m0/s1
InChIKeyKQZUXFQSHDZFQS-GHBKUBCGSA-N
MW352.52 g/mol
LogP4.64
Rot. Bonds6

About (3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane

(3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane (PubChem CID 59386475) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is (3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane.

Molecular Properties

Compound Name(3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane
PubChem CID59386475
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name(3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane
SMILESCC#CC#CC#CC#CCCC(CC)O[C@@H]1OC(CC)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C24H32O2/c1-7-10-11-12-13-14-15-16-17-18-22(8-2)25-24-21(6)19(4)20(5)23(9-3)26-24/h19-24H,8-9,17-18H2,1-6H3/t19-,20+,21?,22?,23?,24+/m0/s1
InChIKeyKQZUXFQSHDZFQS-GHBKUBCGSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane?
The IUPAC name of (3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane (CID 59386475) is (3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane.
What is the SMILES notation for (3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane?
The canonical SMILES for (3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane is CC#CC#CC#CC#CCCC(CC)O[C@@H]1OC(CC)[C@H](C)[C@H](C)C1C.
What is the InChIKey of (3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane?
The InChIKey is KQZUXFQSHDZFQS-GHBKUBCGSA-N. The full InChI is InChI=1S/C24H32O2/c1-7-10-11-12-13-14-15-16-17-18-22(8-2)25-24-21(6)19(4)20(5)23(9-3)26-24/h19-24H,8-9,17-18H2,1-6H3/t19-,20+,21?,22?,23?,24+/m0/s1.
What are the key properties of (3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane?
(3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane has a molecular weight of 352.52 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-2-ethyl-3,4,5-trimethyl-6-tetradeca-6,8,10,12-tetrayn-3-yloxyoxane is sourced from PubChem (CID 59386475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).