(4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one

C14H18O3 — CID 102052605

IUPAC(4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one
SMILESC=C[C@H]1CC(OC)(OC)CC12C=CC(=O)C=C2
InChIInChI=1S/C14H18O3/c1-4-11-9-14(16-2,17-3)10-13(11)7-5-12(15)6-8-13/h4-8,11H,1,9-10H2,2-3H3/t11-/m0/s1
InChIKeyWCSTVVPFDCVZFR-NSHDSACASA-N
MW234.29 g/mol
LogP2.25
Rot. Bonds3

About (4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one

(4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one (PubChem CID 102052605) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name(4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one
PubChem CID102052605
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one
SMILESC=C[C@H]1CC(OC)(OC)CC12C=CC(=O)C=C2
InChIInChI=1S/C14H18O3/c1-4-11-9-14(16-2,17-3)10-13(11)7-5-12(15)6-8-13/h4-8,11H,1,9-10H2,2-3H3/t11-/m0/s1
InChIKeyWCSTVVPFDCVZFR-NSHDSACASA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one
CID 102052608
5-ethenyl-4,4-dimethoxycyclohex-2-en-1-one
CID 14400674
4-methoxy-4-methylcyclohexa-2,5-dien-1-one
CID 687255
6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320097
4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione
CID 132527110
trans-(3R,5R)-3,5-bis(ethenyl)-4,4-dimethylcyclohexan-1-one
CID 11513853
cyclohexa-2,5-diene-1,4-dione;methoxymethane
CID 66691489
5-ethenyl-1,4-dimethylbicyclo[2.2.1]hept-2-ene
CID 139783357
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
1,1-dimethoxy-2-methylidenecyclopropane
CID 15683576
methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457
1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one
CID 10635749

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of (4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one (CID 102052605) is (4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for (4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for (4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one is C=C[C@H]1CC(OC)(OC)CC12C=CC(=O)C=C2.
What is the InChIKey of (4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is WCSTVVPFDCVZFR-NSHDSACASA-N. The full InChI is InChI=1S/C14H18O3/c1-4-11-9-14(16-2,17-3)10-13(11)7-5-12(15)6-8-13/h4-8,11H,1,9-10H2,2-3H3/t11-/m0/s1.
What are the key properties of (4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one?
(4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 234.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 102052605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).