[(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate

C13H22O2 — CID 134981820

IUPAC[(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate
SMILESCCCC/C=C\[C@H]1C[C@H]1COC(=O)CC
InChIInChI=1S/C13H22O2/c1-3-5-6-7-8-11-9-12(11)10-15-13(14)4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-/t11-,12-/m0/s1
InChIKeyKULCYEVOSSGUII-XPOJSHTGSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds7

About [(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate

[(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate (PubChem CID 134981820) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is [(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate.

Molecular Properties

Compound Name[(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate
PubChem CID134981820
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name[(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate
SMILESCCCC/C=C\[C@H]1C[C@H]1COC(=O)CC
InChIInChI=1S/C13H22O2/c1-3-5-6-7-8-11-9-12(11)10-15-13(14)4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-/t11-,12-/m0/s1
InChIKeyKULCYEVOSSGUII-XPOJSHTGSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
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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Related Compounds

[(1S,2S)-2-[(E)-14-[(1S,2R)-2-icosylcyclopropyl]tetradec-1-enyl]cyclopropyl]methyl butanoate
CID 11388219
[(Z)-oct-3-enyl] propanoate
CID 20836326
methyl 8-(2-hex-1-enylcyclopropyl)oct-7-enoate
CID 77365865
[(Z)-dodec-7-enyl] propanoate
CID 56935984
[(3R,4R)-4-[[(Z)-octadec-9-enoyl]oxymethyl]pyrrolidin-3-yl]methyl (Z)-octadec-9-enoate
CID 71293137
[(3S,4S)-4-[[(E)-octadec-9-enoyl]oxymethyl]pyrrolidin-3-yl]methyl (E)-octadec-9-enoate
CID 89427391
(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
[1-methyl-4-[[(Z)-octadec-9-enoyl]oxymethyl]pyrrolidin-3-yl]methyl (Z)-octadec-9-enoate
CID 158043530
[(E)-dec-3-enyl] propanoate
CID 45142124
[(E)-hexadec-5-enyl] propanoate
CID 23434883
[(Z)-dec-3-enyl] propanoate
CID 129170896
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate?
The IUPAC name of [(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate (CID 134981820) is [(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate.
What is the SMILES notation for [(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate?
The canonical SMILES for [(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate is CCCC/C=C\[C@H]1C[C@H]1COC(=O)CC.
What is the InChIKey of [(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate?
The InChIKey is KULCYEVOSSGUII-XPOJSHTGSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-5-6-7-8-11-9-12(11)10-15-13(14)4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-/t11-,12-/m0/s1.
What are the key properties of [(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate?
[(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(Z)-hex-1-enyl]cyclopropyl]methyl propanoate is sourced from PubChem (CID 134981820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).