2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]

C14H16O — CID 166828390

IUPAC2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]
SMILESC=CC1CC12CCOc1cc(C)ccc12
InChIInChI=1S/C14H16O/c1-3-11-9-14(11)6-7-15-13-8-10(2)4-5-12(13)14/h3-5,8,11H,1,6-7,9H2,2H3
InChIKeyKJGMUKOYGQJQTK-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.22
Rot. Bonds1

About 2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]

2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane] (PubChem CID 166828390) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane].

Molecular Properties

Compound Name2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]
PubChem CID166828390
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]
SMILESC=CC1CC12CCOc1cc(C)ccc12
InChIInChI=1S/C14H16O/c1-3-11-9-14(11)6-7-15-13-8-10(2)4-5-12(13)14/h3-5,8,11H,1,6-7,9H2,2H3
InChIKeyKJGMUKOYGQJQTK-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
The IUPAC name of 2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane] (CID 166828390) is 2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane].
What is the SMILES notation for 2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
The canonical SMILES for 2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane] is C=CC1CC12CCOc1cc(C)ccc12.
What is the InChIKey of 2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
The InChIKey is KJGMUKOYGQJQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-3-11-9-14(11)6-7-15-13-8-10(2)4-5-12(13)14/h3-5,8,11H,1,6-7,9H2,2H3.
What are the key properties of 2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane] has a molecular weight of 200.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethenyl-7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane] is sourced from PubChem (CID 166828390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).