lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane

C34H62AlLiO8 — CID 159996544

IUPAClithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane
SMILESC1CCOC1.CC(C)=CCC1(CO)CCC2(CC1)OCCO2.CCOC(=O)C1(CC=C(C)C)CCC2(CC1)OCCO2.[AlH3].[H-].[Li+]
InChIInChI=1S/C16H26O4.C14H24O3.C4H8O.Al.Li.4H/c1-4-18-14(17)15(6-5-13(2)3)7-9-16(10-8-15)19-11-12-20-16;1-12(2)3-4-13(11-15)5-7-14(8-6-13)16-9-10-17-14;1-2-4-5-3-1;;;;;;/h5H,4,6-12H2,1-3H3;3,15H,4-11H2,1-2H3;1-4H2;;;;;;/q;;;;+1;;;;-1
InChIKeyFYCMJOTXIVXKBD-UHFFFAOYSA-N
MW632.79 g/mol
LogP2.58
Rot. Bonds7

About lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane

lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane (PubChem CID 159996544) has the molecular formula C34H62AlLiO8 and a molecular weight of 632.79 g/mol. Its IUPAC name is lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane.

Molecular Properties

Compound Namelithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane
PubChem CID159996544
Molecular FormulaC34H62AlLiO8
Molecular Weight632.79 g/mol
Exact Mass632.44
IUPAC Namelithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane
SMILESC1CCOC1.CC(C)=CCC1(CO)CCC2(CC1)OCCO2.CCOC(=O)C1(CC=C(C)C)CCC2(CC1)OCCO2.[AlH3].[H-].[Li+]
InChIInChI=1S/C16H26O4.C14H24O3.C4H8O.Al.Li.4H/c1-4-18-14(17)15(6-5-13(2)3)7-9-16(10-8-15)19-11-12-20-16;1-12(2)3-4-13(11-15)5-7-14(8-6-13)16-9-10-17-14;1-2-4-5-3-1;;;;;;/h5H,4,6-12H2,1-3H3;3,15H,4-11H2,1-2H3;1-4H2;;;;;;/q;;;;+1;;;;-1
InChIKeyFYCMJOTXIVXKBD-UHFFFAOYSA-N
XLogP2.58
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane 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

ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 139451395
lithium;alumane;ethyl 8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;oxolane;[8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 158254956
ethyl 8-(methoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 121279376
ethyl (3S)-3-(3-methylbut-2-enyl)piperidine-3-carboxylate
CID 129463338
ethyl 8-(3-iodopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 90037562
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761
ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 129073640
[1-(3-methylbut-2-enyl)cyclohexyl]methanol
CID 121012756
ethyl 8-methyl-1,4-dioxaspiro[4.51]hexapentacontane-8-carboxylate
CID 139462864
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
ethyl 8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 58399380
ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate
CID 68758464

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane?
The IUPAC name of lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane (CID 159996544) is lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane.
What is the SMILES notation for lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane?
The canonical SMILES for lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane is C1CCOC1.CC(C)=CCC1(CO)CCC2(CC1)OCCO2.CCOC(=O)C1(CC=C(C)C)CCC2(CC1)OCCO2.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane?
The InChIKey is FYCMJOTXIVXKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4.C14H24O3.C4H8O.Al.Li.4H/c1-4-18-14(17)15(6-5-13(2)3)7-9-16(10-8-15)19-11-12-20-16;1-12(2)3-4-13(11-15)5-7-14(8-6-13)16-9-10-17-14;1-2-4-5-3-1;;;;;;/h5H,4,6-12H2,1-3H3;3,15H,4-11H2,1-2H3;1-4H2;;;;;;/q;;;;+1;;;;-1.
What are the key properties of lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane?
lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane has a molecular weight of 632.79 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate;hydride;[8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol;oxolane is sourced from PubChem (CID 159996544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).