6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene]

C13H18O3 — CID 134580094

IUPAC6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene]
SMILESCOC1=CCC2=C(C1)CC1(CC2)OCCO1
InChIInChI=1S/C13H18O3/c1-14-12-3-2-10-4-5-13(9-11(10)8-12)15-6-7-16-13/h3H,2,4-9H2,1H3
InChIKeyYGSKSZSPCVJBNA-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.53
Rot. Bonds1

About 6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene]

6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene] (PubChem CID 134580094) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene].

Molecular Properties

Compound Name6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene]
PubChem CID134580094
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene]
SMILESCOC1=CCC2=C(C1)CC1(CC2)OCCO1
InChIInChI=1S/C13H18O3/c1-14-12-3-2-10-4-5-13(9-11(10)8-12)15-6-7-16-13/h3H,2,4-9H2,1H3
InChIKeyYGSKSZSPCVJBNA-UHFFFAOYSA-N
XLogP2.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene]?
The IUPAC name of 6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene] (CID 134580094) is 6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene].
What is the SMILES notation for 6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene]?
The canonical SMILES for 6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene] is COC1=CCC2=C(C1)CC1(CC2)OCCO1.
What is the InChIKey of 6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene]?
The InChIKey is YGSKSZSPCVJBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-14-12-3-2-10-4-5-13(9-11(10)8-12)15-6-7-16-13/h3H,2,4-9H2,1H3.
What are the key properties of 6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene]?
6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene] has a molecular weight of 222.28 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methoxyspiro[1,3-dioxolane-2,3'-2,4,5,8-tetrahydro-1H-naphthalene] is sourced from PubChem (CID 134580094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).