(4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane

C18H28O3 — CID 162415279

IUPAC(4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
SMILESC/C=C/[C@H]1CCC[C@@]2(CC[C@@]3(CCC[C@H](/C=C/C)O3)O2)O1
InChIInChI=1S/C18H28O3/c1-3-7-15-9-5-11-17(19-15)13-14-18(21-17)12-6-10-16(20-18)8-4-2/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3/b7-3+,8-4+/t15-,16-,17+,18+/m0/s1
InChIKeyHKIMDINXTWGLNM-KFSMFQRVSA-N
MW292.42 g/mol
LogP4.48
Rot. Bonds2

About (4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane

(4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane (PubChem CID 162415279) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane.

Molecular Properties

Compound Name(4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
PubChem CID162415279
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
SMILESC/C=C/[C@H]1CCC[C@@]2(CC[C@@]3(CCC[C@H](/C=C/C)O3)O2)O1
InChIInChI=1S/C18H28O3/c1-3-7-15-9-5-11-17(19-15)13-14-18(21-17)12-6-10-16(20-18)8-4-2/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3/b7-3+,8-4+/t15-,16-,17+,18+/m0/s1
InChIKeyHKIMDINXTWGLNM-KFSMFQRVSA-N
XLogP4.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,8-Bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
CID 134857983
2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 134858588
(2R,6R)-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 134958873
(5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane
CID 134968336
(2R,5R)-2-ethenyl-1,10-dioxaspiro[4.5]decane
CID 134968390
2-Ethenyl-1,7-dioxaspiro[5.5]undecane
CID 154714568
8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 162415276
(4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 162415278
2-Methyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832114
2-Undec-1-enyl-2-(2-undec-1-enyloxan-2-yl)oxyoxane
CID 175119284
(2S,6R,8S)-2,8-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 10058170

Frequently Asked Questions

What is the IUPAC name of (4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The IUPAC name of (4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane (CID 162415279) is (4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane.
What is the SMILES notation for (4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The canonical SMILES for (4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane is C/C=C/[C@H]1CCC[C@@]2(CC[C@@]3(CCC[C@H](/C=C/C)O3)O2)O1.
What is the InChIKey of (4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The InChIKey is HKIMDINXTWGLNM-KFSMFQRVSA-N. The full InChI is InChI=1S/C18H28O3/c1-3-7-15-9-5-11-17(19-15)13-14-18(21-17)12-6-10-16(20-18)8-4-2/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3/b7-3+,8-4+/t15-,16-,17+,18+/m0/s1.
What are the key properties of (4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
(4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane has a molecular weight of 292.42 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane is sourced from PubChem (CID 162415279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).