ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate

C17H30O2 — CID 11043727

IUPACethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate
SMILESC=CC[C@@H]1C[C@H]1CCCCCCCCC(=O)OCC
InChIInChI=1S/C17H30O2/c1-3-11-15-14-16(15)12-9-7-5-6-8-10-13-17(18)19-4-2/h3,15-16H,1,4-14H2,2H3/t15-,16-/m1/s1
InChIKeyBXRLATYYYSBKAF-HZPDHXFCSA-N
MW266.42 g/mol
LogP4.88
Rot. Bonds12

About ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate

ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate (PubChem CID 11043727) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate.

Molecular Properties

Compound Nameethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate
PubChem CID11043727
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Nameethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate
SMILESC=CC[C@@H]1C[C@H]1CCCCCCCCC(=O)OCC
InChIInChI=1S/C17H30O2/c1-3-11-15-14-16(15)12-9-7-5-6-8-10-13-17(18)19-4-2/h3,15-16H,1,4-14H2,2H3/t15-,16-/m1/s1
InChIKeyBXRLATYYYSBKAF-HZPDHXFCSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate?
The IUPAC name of ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate (CID 11043727) is ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate.
What is the SMILES notation for ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate?
The canonical SMILES for ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate is C=CC[C@@H]1C[C@H]1CCCCCCCCC(=O)OCC.
What is the InChIKey of ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate?
The InChIKey is BXRLATYYYSBKAF-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-11-15-14-16(15)12-9-7-5-6-8-10-13-17(18)19-4-2/h3,15-16H,1,4-14H2,2H3/t15-,16-/m1/s1.
What are the key properties of ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate?
ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate has a molecular weight of 266.42 g/mol, XLogP of 4.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-[(1R,2R)-2-prop-2-enylcyclopropyl]nonanoate is sourced from PubChem (CID 11043727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).