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

C18H28O3 — CID 162415278

IUPAC(4S,6S,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-
InChIKeyHKIMDINXTWGLNM-CKJZBQQLSA-N
MW292.42 g/mol
LogP4.48
Rot. Bonds2

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

(4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane (PubChem CID 162415278) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane.

Molecular Properties

Compound Name(4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
PubChem CID162415278
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(4S,6S,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-
InChIKeyHKIMDINXTWGLNM-CKJZBQQLSA-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

(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254043
(2R,8R)-2,8-bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 101440859
2,8-bis(ethenyl)-1,7-dioxaspiro[5.5]undecane
CID 134840281
2-[(E)-prop-1-enyl]oxolane
CID 12508233
(6S,8R,10S)-10-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254042
(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane
CID 71504682
(3aR,5S,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11557396
(E)-4-(1,4-dioxaspiro[4.5]decan-3-yl)but-3-en-2-one
CID 15758947
2-(4-penta-1,3-dienyl-1,5-dioxaspiro[5.5]undecan-2-yl)acetic acid
CID 54553066
2-[(Z)-prop-1-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carbodithioic acid
CID 87094162
2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
CID 134866027
3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde
CID 130584919

Frequently Asked Questions

What is the IUPAC name of (4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The IUPAC name of (4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane (CID 162415278) is (4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane.
What is the SMILES notation for (4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The canonical SMILES for (4S,6S,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 (4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
The InChIKey is HKIMDINXTWGLNM-CKJZBQQLSA-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-.
What are the key properties of (4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane?
(4S,6S,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 (4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane is sourced from PubChem (CID 162415278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).