7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]

C15H22O3 — CID 11579691

IUPAC7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]
SMILESC=CCOCC12CCC=C1CC1(CC2)OCCO1
InChIInChI=1S/C15H22O3/c1-2-8-16-12-14-5-3-4-13(14)11-15(7-6-14)17-9-10-18-15/h2,4H,1,3,5-12H2
InChIKeyJAJXRQIPKQDMBU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.82
Rot. Bonds4

About 7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]

7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene] (PubChem CID 11579691) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene].

Molecular Properties

Compound Name7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]
PubChem CID11579691
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]
SMILESC=CCOCC12CCC=C1CC1(CC2)OCCO1
InChIInChI=1S/C15H22O3/c1-2-8-16-12-14-5-3-4-13(14)11-15(7-6-14)17-9-10-18-15/h2,4H,1,3,5-12H2
InChIKeyJAJXRQIPKQDMBU-UHFFFAOYSA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]?
The IUPAC name of 7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene] (CID 11579691) is 7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene].
What is the SMILES notation for 7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]?
The canonical SMILES for 7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene] is C=CCOCC12CCC=C1CC1(CC2)OCCO1.
What is the InChIKey of 7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]?
The InChIKey is JAJXRQIPKQDMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-8-16-12-14-5-3-4-13(14)11-15(7-6-14)17-9-10-18-15/h2,4H,1,3,5-12H2.
What are the key properties of 7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]?
7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene] has a molecular weight of 250.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'a-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene] is sourced from PubChem (CID 11579691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).