(2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane

C18H24O — CID 153373189

IUPAC(2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane
SMILESC=C/C=C(\C=C)[C@H]1OC(=C/C)/C(=C\C=C/C)C[C@H]1C
InChIInChI=1S/C18H24O/c1-6-10-12-16-13-14(5)18(19-17(16)9-4)15(8-3)11-7-2/h6-12,14,18H,2-3,13H2,1,4-5H3/b10-6-,15-11+,16-12-,17-9+/t14-,18+/m1/s1
InChIKeyLYJVRROXTHMMQO-CLJFRXBHSA-N
MW256.39 g/mol
LogP5.12
Rot. Bonds4

About (2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane

(2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane (PubChem CID 153373189) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane.

Molecular Properties

Compound Name(2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane
PubChem CID153373189
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane
SMILESC=C/C=C(\C=C)[C@H]1OC(=C/C)/C(=C\C=C/C)C[C@H]1C
InChIInChI=1S/C18H24O/c1-6-10-12-16-13-14(5)18(19-17(16)9-4)15(8-3)11-7-2/h6-12,14,18H,2-3,13H2,1,4-5H3/b10-6-,15-11+,16-12-,17-9+/t14-,18+/m1/s1
InChIKeyLYJVRROXTHMMQO-CLJFRXBHSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane?
The IUPAC name of (2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane (CID 153373189) is (2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane.
What is the SMILES notation for (2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane?
The canonical SMILES for (2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane is C=C/C=C(\C=C)[C@H]1OC(=C/C)/C(=C\C=C/C)C[C@H]1C.
What is the InChIKey of (2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane?
The InChIKey is LYJVRROXTHMMQO-CLJFRXBHSA-N. The full InChI is InChI=1S/C18H24O/c1-6-10-12-16-13-14(5)18(19-17(16)9-4)15(8-3)11-7-2/h6-12,14,18H,2-3,13H2,1,4-5H3/b10-6-,15-11+,16-12-,17-9+/t14-,18+/m1/s1.
What are the key properties of (2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane?
(2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane has a molecular weight of 256.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,5R,6S)-3-[(Z)-but-2-enylidene]-2-ethylidene-6-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyloxane is sourced from PubChem (CID 153373189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).