ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate

C14H22O2 — CID 134992317

IUPACethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate
SMILESCCOC(=O)C1CC[C@@H](C)C12C=CCCC2
InChIInChI=1S/C14H22O2/c1-3-16-13(15)12-8-7-11(2)14(12)9-5-4-6-10-14/h5,9,11-12H,3-4,6-8,10H2,1-2H3/t11-,12?,14?/m1/s1
InChIKeyPCSLYYCIMOMXQU-LKSINWNRSA-N
MW222.33 g/mol
LogP3.32
Rot. Bonds2

About ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate

ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate (PubChem CID 134992317) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate
PubChem CID134992317
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nameethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate
SMILESCCOC(=O)C1CC[C@@H](C)C12C=CCCC2
InChIInChI=1S/C14H22O2/c1-3-16-13(15)12-8-7-11(2)14(12)9-5-4-6-10-14/h5,9,11-12H,3-4,6-8,10H2,1-2H3/t11-,12?,14?/m1/s1
InChIKeyPCSLYYCIMOMXQU-LKSINWNRSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 5-norbornene-2-carboxylate
CID 24986
Ethyl 3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15904484
2-Methylbicyclo[2.2.1]-5-heptene-2-carboxylic acid
CID 136650
Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 250075
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)-
CID 121232747
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl ester
CID 15607334
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2R,3R,4S)-rel-
CID 121232748
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-
CID 131866362
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 5,6-dimethyl-1-(1-methylethenyl)-, methyl ester
CID 154413761
CID 260719
CID 260719
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,6-dimethyl-5-(1-methylethenyl)-, methyl ester
CID 111351
Dehydroherbadysinolide
CID 15884891

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate?
The IUPAC name of ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate (CID 134992317) is ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate.
What is the SMILES notation for ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate?
The canonical SMILES for ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate is CCOC(=O)C1CC[C@@H](C)C12C=CCCC2.
What is the InChIKey of ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate?
The InChIKey is PCSLYYCIMOMXQU-LKSINWNRSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-16-13(15)12-8-7-11(2)14(12)9-5-4-6-10-14/h5,9,11-12H,3-4,6-8,10H2,1-2H3/t11-,12?,14?/m1/s1.
What are the key properties of ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate?
ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate has a molecular weight of 222.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-1-methylspiro[4.5]dec-9-ene-4-carboxylate is sourced from PubChem (CID 134992317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).