prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate

C15H22O2 — CID 140556868

IUPACprop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate
SMILESC=CCOC(=O)[C@@H]1[C@H](C)C=CCC12CCCC2
InChIInChI=1S/C15H22O2/c1-3-11-17-14(16)13-12(2)7-6-10-15(13)8-4-5-9-15/h3,6-7,12-13H,1,4-5,8-11H2,2H3/t12-,13+/m1/s1
InChIKeySXPCSCMPZFVTSP-OLZOCXBDSA-N
MW234.34 g/mol
LogP3.49
Rot. Bonds3

About prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate

prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate (PubChem CID 140556868) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate
PubChem CID140556868
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameprop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate
SMILESC=CCOC(=O)[C@@H]1[C@H](C)C=CCC12CCCC2
InChIInChI=1S/C15H22O2/c1-3-11-17-14(16)13-12(2)7-6-10-15(13)8-4-5-9-15/h3,6-7,12-13H,1,4-5,8-11H2,2H3/t12-,13+/m1/s1
InChIKeySXPCSCMPZFVTSP-OLZOCXBDSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.49
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 3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15904484
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, 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
Retinyl octanoate
CID 5352717
Retinyl heptanoate
CID 11338503
3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester
CID 175120
3-Cyclohexene-1-carboxylic acid, 1-methyl-3-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester
CID 175121
ethyl (1S,4S,5S)-8-methylidene-1-propan-2-ylspiro[4.5]dec-9-ene-4-carboxylate
CID 127026799
ethyl (1S,5R)-4-methylidene-8-oxospiro[4.5]dec-9-ene-1-carboxylate
CID 127038235
(3aS,6E,10aS)-3,3,6-trimethyl-10-methylidene-3a,4,5,8,9,10a-hexahydrocyclonona[b]furan-2-one
CID 101317804
[(2E,6E)-3,7-dimethyl-9-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 162852586

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate?
The IUPAC name of prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate (CID 140556868) is prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate.
What is the SMILES notation for prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate?
The canonical SMILES for prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate is C=CCOC(=O)[C@@H]1[C@H](C)C=CCC12CCCC2.
What is the InChIKey of prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate?
The InChIKey is SXPCSCMPZFVTSP-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-11-17-14(16)13-12(2)7-6-10-15(13)8-4-5-9-15/h3,6-7,12-13H,1,4-5,8-11H2,2H3/t12-,13+/m1/s1.
What are the key properties of prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate?
prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate has a molecular weight of 234.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (9R,10R)-9-methylspiro[4.5]dec-7-ene-10-carboxylate is sourced from PubChem (CID 140556868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).