1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol

C14H24O4 — CID 101007314

IUPAC1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol
SMILESCCC(CC)OC(O)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H24O4/c1-3-12(4-2)18-13(15)11-5-7-14(8-6-11)16-9-10-17-14/h12,15H,3-10H2,1-2H3
InChIKeyMLBNORWZAKYXIP-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.28
Rot. Bonds4

About 1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol

1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol (PubChem CID 101007314) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol
PubChem CID101007314
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol
SMILESCCC(CC)OC(O)=C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H24O4/c1-3-12(4-2)18-13(15)11-5-7-14(8-6-11)16-9-10-17-14/h12,15H,3-10H2,1-2H3
InChIKeyMLBNORWZAKYXIP-UHFFFAOYSA-N
XLogP3.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

pentan-3-yl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10777478
8-(4-chlorophenyl)-8-(1-isocyanopropyl)-1,4-dioxaspiro[4.5]decane
CID 140729087
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
CID 151473274
(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
CID 12568263
1,4-dioxaspiro[4.5]decan-8-ylidenemethanol
CID 10695236
8-cyclobutylidene-1,4-dioxaspiro[4.5]decane
CID 118423720
8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 11033330
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid
CID 20991583
ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144926160
N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 130201014
ethyl 8-sulfanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 87302879

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol (CID 101007314) is 1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol is CCC(CC)OC(O)=C1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol?
The InChIKey is MLBNORWZAKYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-12(4-2)18-13(15)11-5-7-14(8-6-11)16-9-10-17-14/h12,15H,3-10H2,1-2H3.
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol?
1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol has a molecular weight of 256.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol is sourced from PubChem (CID 101007314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).