(1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene]

C8H10O4 — CID 172882914

IUPAC(1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene]
SMILESC1=CC2(OCCO2)[C@@H]2OC[C@H]1O2
InChIInChI=1S/C8H10O4/c1-2-8(10-3-4-11-8)7-9-5-6(1)12-7/h1-2,6-7H,3-5H2/t6-,7+/m0/s1
InChIKeyCQECVPGHUPAUHT-NKWVEPMBSA-N
MW170.16 g/mol
LogP0.04
Rot. Bonds

About (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene]

(1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene] (PubChem CID 172882914) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene].

Molecular Properties

Compound Name(1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene]
PubChem CID172882914
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene]
SMILESC1=CC2(OCCO2)[C@@H]2OC[C@H]1O2
InChIInChI=1S/C8H10O4/c1-2-8(10-3-4-11-8)7-9-5-6(1)12-7/h1-2,6-7H,3-5H2/t6-,7+/m0/s1
InChIKeyCQECVPGHUPAUHT-NKWVEPMBSA-N
XLogP0.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene] with MolForge

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Related Compounds

1,4,9,12-Tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene
CID 319563
6,8-Dioxabicyclo[3.2.1]oct-3-ene
CID 557134
2-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)-1,3-dioxolane
CID 12770203
6,8-Dioxabicyclo[3.2.1]oct-2-ene
CID 13438401
2,7-Dioxabicyclo[2.2.1]hept-5-ene
CID 14474501
1,6-anhydro-3,4-dideoxy-2-O-methyl-beta-d-threo-hex-3-enopyranose
CID 21595655
[(1S,4S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl] prop-2-enoate
CID 138981935
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
(1s,4s,5r)-4-Methoxy-4-methyl-6,8-dioxabicyclo-[3.2.1]oct-2-ene
CID 129757385
(1s,4s,5r)-4-[(Methylsulfanyl)methoxy]-6,8-dioxabicyclo-[3.2.1]oct-2-ene
CID 137332146
[((1s,4s,5r)-6,8-Dioxabicyclo-[3.2.1]oct-2-en-4-yloxy)methyl]acetate
CID 137332162
(s)-4-[(z)-2-((s)-2,2-Dimethyl-1,3-dioxolan-4-yl)-vinyl]-2,2,4-trimethyl-1,3-dioxolane
CID 154585823

Frequently Asked Questions

What is the IUPAC name of (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene]?
The IUPAC name of (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene] (CID 172882914) is (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene].
What is the SMILES notation for (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene]?
The canonical SMILES for (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene] is C1=CC2(OCCO2)[C@@H]2OC[C@H]1O2.
What is the InChIKey of (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene]?
The InChIKey is CQECVPGHUPAUHT-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-8(10-3-4-11-8)7-9-5-6(1)12-7/h1-2,6-7H,3-5H2/t6-,7+/m0/s1.
What are the key properties of (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene]?
(1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene] has a molecular weight of 170.16 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R)-spiro[1,3-dioxolane-2,4'-6,8-dioxabicyclo[3.2.1]oct-2-ene] is sourced from PubChem (CID 172882914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).