(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane

C15H26O2 — CID 71504682

IUPAC(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane
SMILESC=C[C@@H]1CCC[C@]2(CCC[C@@H](CCCC)O2)O1
InChIInChI=1S/C15H26O2/c1-3-5-8-14-10-7-12-15(17-14)11-6-9-13(4-2)16-15/h4,13-14H,2-3,5-12H2,1H3/t13-,14-,15+/m1/s1
InChIKeyZQPZYSWBEKKQEN-KFWWJZLASA-N
MW238.37 g/mol
LogP4.20
Rot. Bonds4

About (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane

(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane (PubChem CID 71504682) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane
PubChem CID71504682
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane
SMILESC=C[C@@H]1CCC[C@]2(CCC[C@@H](CCCC)O2)O1
InChIInChI=1S/C15H26O2/c1-3-5-8-14-10-7-12-15(17-14)11-6-9-13(4-2)16-15/h4,13-14H,2-3,5-12H2,1H3/t13-,14-,15+/m1/s1
InChIKeyZQPZYSWBEKKQEN-KFWWJZLASA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane
CID 101411288
(2R,6R,8S)-8-hexyl-2-(5-methylfuran-2-yl)-1,7-dioxaspiro[5.5]undecane
CID 102182627
(2R,6R,8S)-2-(furan-2-yl)-8-nonyl-1,7-dioxaspiro[5.5]undecane
CID 102182624
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
(2R,6S)-2-ethyl-6-hexyl-2-methyloxane
CID 102172667
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 10888892
2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol
CID 11275673
N-[3-[(2S,6S,8S)-2-but-3-enyl-1,7-dioxaspiro[5.5]undecan-8-yl]propyl]-2-formylbenzamide
CID 59456485
(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 13364433
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897

Frequently Asked Questions

What is the IUPAC name of (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane (CID 71504682) is (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane is C=C[C@@H]1CCC[C@]2(CCC[C@@H](CCCC)O2)O1.
What is the InChIKey of (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is ZQPZYSWBEKKQEN-KFWWJZLASA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-8-14-10-7-12-15(17-14)11-6-9-13(4-2)16-15/h4,13-14H,2-3,5-12H2,1H3/t13-,14-,15+/m1/s1.
What are the key properties of (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane?
(2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 238.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,8R)-8-butyl-2-ethenyl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 71504682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).