(9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene

C15H20O — CID 11127681

IUPAC(9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene
SMILESC=CC1=CCOC12C[C@H](C(=C)C)CC=C2C
InChIInChI=1S/C15H20O/c1-5-14-8-9-16-15(14)10-13(11(2)3)7-6-12(15)4/h5-6,8,13H,1-2,7,9-10H2,3-4H3/t13-,15?/m1/s1
InChIKeyITWGQKVSQFTOHH-AFYYWNPRSA-N
MW216.32 g/mol
LogP3.80
Rot. Bonds2

About (9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene

(9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene (PubChem CID 11127681) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene.

Molecular Properties

Compound Name(9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene
PubChem CID11127681
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene
SMILESC=CC1=CCOC12C[C@H](C(=C)C)CC=C2C
InChIInChI=1S/C15H20O/c1-5-14-8-9-16-15(14)10-13(11(2)3)7-6-12(15)4/h5-6,8,13H,1-2,7,9-10H2,3-4H3/t13-,15?/m1/s1
InChIKeyITWGQKVSQFTOHH-AFYYWNPRSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.80
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 (9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene?
The IUPAC name of (9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene (CID 11127681) is (9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene.
What is the SMILES notation for (9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene?
The canonical SMILES for (9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene is C=CC1=CCOC12C[C@H](C(=C)C)CC=C2C.
What is the InChIKey of (9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene?
The InChIKey is ITWGQKVSQFTOHH-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H20O/c1-5-14-8-9-16-15(14)10-13(11(2)3)7-6-12(15)4/h5-6,8,13H,1-2,7,9-10H2,3-4H3/t13-,15?/m1/s1.
What are the key properties of (9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene?
(9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene has a molecular weight of 216.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene is sourced from PubChem (CID 11127681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).