spiro[3,4-dihydrochromene-2,2'-oxane]

C13H16O2 — CID 25016653

IUPACspiro[3,4-dihydrochromene-2,2'-oxane]
SMILESc1ccc2c(c1)CCC1(CCCCO1)O2
InChIInChI=1S/C13H16O2/c1-2-6-12-11(5-1)7-9-13(15-12)8-3-4-10-14-13/h1-2,5-6H,3-4,7-10H2
InChIKeyDPKPFXDFUUWBNV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.91
Rot. Bonds

About spiro[3,4-dihydrochromene-2,2'-oxane]

spiro[3,4-dihydrochromene-2,2'-oxane] (PubChem CID 25016653) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is spiro[3,4-dihydrochromene-2,2'-oxane].

Molecular Properties

Compound Namespiro[3,4-dihydrochromene-2,2'-oxane]
PubChem CID25016653
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namespiro[3,4-dihydrochromene-2,2'-oxane]
SMILESc1ccc2c(c1)CCC1(CCCCO1)O2
InChIInChI=1S/C13H16O2/c1-2-6-12-11(5-1)7-9-13(15-12)8-3-4-10-14-13/h1-2,5-6H,3-4,7-10H2
InChIKeyDPKPFXDFUUWBNV-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydrochromene-2,2'-oxane]?
The IUPAC name of spiro[3,4-dihydrochromene-2,2'-oxane] (CID 25016653) is spiro[3,4-dihydrochromene-2,2'-oxane].
What is the SMILES notation for spiro[3,4-dihydrochromene-2,2'-oxane]?
The canonical SMILES for spiro[3,4-dihydrochromene-2,2'-oxane] is c1ccc2c(c1)CCC1(CCCCO1)O2.
What is the InChIKey of spiro[3,4-dihydrochromene-2,2'-oxane]?
The InChIKey is DPKPFXDFUUWBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-6-12-11(5-1)7-9-13(15-12)8-3-4-10-14-13/h1-2,5-6H,3-4,7-10H2.
What are the key properties of spiro[3,4-dihydrochromene-2,2'-oxane]?
spiro[3,4-dihydrochromene-2,2'-oxane] has a molecular weight of 204.27 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydrochromene-2,2'-oxane] is sourced from PubChem (CID 25016653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).