(1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one

C15H24O5 — CID 11471632

IUPAC(1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one
SMILESCOCOCC[C@]12CC(=O)[C@H](C1)C1(C[C@@H]2C)OCCO1
InChIInChI=1S/C15H24O5/c1-11-7-15(19-5-6-20-15)12-8-14(11,9-13(12)16)3-4-18-10-17-2/h11-12H,3-10H2,1-2H3/t11-,12-,14+/m0/s1
InChIKeyDPGIQMYMBQSZQU-SGMGOOAPSA-N
MW284.35 g/mol
LogP1.75
Rot. Bonds5

About (1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one

(1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one (PubChem CID 11471632) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one.

Molecular Properties

Compound Name(1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one
PubChem CID11471632
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one
SMILESCOCOCC[C@]12CC(=O)[C@H](C1)C1(C[C@@H]2C)OCCO1
InChIInChI=1S/C15H24O5/c1-11-7-15(19-5-6-20-15)12-8-14(11,9-13(12)16)3-4-18-10-17-2/h11-12H,3-10H2,1-2H3/t11-,12-,14+/m0/s1
InChIKeyDPGIQMYMBQSZQU-SGMGOOAPSA-N
XLogP1.75
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (1'S,4'S,5'R)-5'-[2-(methoxymethoxy)ethyl]-4'-methyl-7'-prop-2-enoxyspiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-6'-carboxylate
CID 11199912
(1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane]
CID 10914718
4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one
CID 11770519
2-(methoxymethoxymethyl)cyclopentane-1,3-dione
CID 23560436
(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
CID 124672672
(3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]
CID 101225993
5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one
CID 11032933
(3'R,4'aR,8'aR)-4'a-(methoxymethyl)-3'-methylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydro-1H-naphthalene]-2'-one
CID 134922479
(1'S,4'R)-spiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]heptane]-2'-one
CID 131162623
(3'aR,6'S,7'aS)-6'-methylspiro[1,3-dioxolane-2,4'-5,6,7,7a-tetrahydro-3aH-1-benzofuran]-3'-one
CID 11310383
methyl (4bR,8S)-10a-(2-ethoxyethoxymethyl)-4b,8-dimethyl-3-oxospiro[1,2,4,4a,5,6,8,10-octahydrophenanthrene-7,2'-1,3-dioxolane]-2-carboxylate
CID 134916516
2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane
CID 11983660

Frequently Asked Questions

What is the IUPAC name of (1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one?
The IUPAC name of (1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one (CID 11471632) is (1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one.
What is the SMILES notation for (1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one?
The canonical SMILES for (1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one is COCOCC[C@]12CC(=O)[C@H](C1)C1(C[C@@H]2C)OCCO1.
What is the InChIKey of (1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one?
The InChIKey is DPGIQMYMBQSZQU-SGMGOOAPSA-N. The full InChI is InChI=1S/C15H24O5/c1-11-7-15(19-5-6-20-15)12-8-14(11,9-13(12)16)3-4-18-10-17-2/h11-12H,3-10H2,1-2H3/t11-,12-,14+/m0/s1.
What are the key properties of (1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one?
(1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one has a molecular weight of 284.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one is sourced from PubChem (CID 11471632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).