(7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one

C15H22O3 — CID 10901065

IUPAC(7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one
SMILESC=C(C)[C@H]1CC=C(C)C(=O)C12COC(C)(C)OC2
InChIInChI=1S/C15H22O3/c1-10(2)12-7-6-11(3)13(16)15(12)8-17-14(4,5)18-9-15/h6,12H,1,7-9H2,2-5H3/t12-/m1/s1
InChIKeyJTGZBYKQVIGFTM-GFCCVEGCSA-N
MW250.34 g/mol
LogP2.87
Rot. Bonds1

About (7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one

(7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one (PubChem CID 10901065) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one.

Molecular Properties

Compound Name(7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one
PubChem CID10901065
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one
SMILESC=C(C)[C@H]1CC=C(C)C(=O)C12COC(C)(C)OC2
InChIInChI=1S/C15H22O3/c1-10(2)12-7-6-11(3)13(16)15(12)8-17-14(4,5)18-9-15/h6,12H,1,7-9H2,2-5H3/t12-/m1/s1
InChIKeyJTGZBYKQVIGFTM-GFCCVEGCSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S)-6-(dimethoxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
CID 134897808
3,3-Dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
CID 162419744
(4aR,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydro-1,3-benzodioxin-5-one
CID 10749943
ethyl (1R,5R,6R)-1,3,5,6-tetramethyl-2-oxocyclohex-3-ene-1-carboxylate
CID 45097844
3,3,8,11-Tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione
CID 101157409

Frequently Asked Questions

What is the IUPAC name of (7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one?
The IUPAC name of (7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one (CID 10901065) is (7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one.
What is the SMILES notation for (7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one?
The canonical SMILES for (7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one is C=C(C)[C@H]1CC=C(C)C(=O)C12COC(C)(C)OC2.
What is the InChIKey of (7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one?
The InChIKey is JTGZBYKQVIGFTM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(2)12-7-6-11(3)13(16)15(12)8-17-14(4,5)18-9-15/h6,12H,1,7-9H2,2-5H3/t12-/m1/s1.
What are the key properties of (7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one?
(7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one has a molecular weight of 250.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3,3,10-trimethyl-7-prop-1-en-2-yl-2,4-dioxaspiro[5.5]undec-9-en-11-one is sourced from PubChem (CID 10901065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).