cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde

C15H24O2 — CID 135700159

IUPACcis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde
SMILESC/C=C/CCC[C@]1(C=O)CCC[C@H]1[C@@H](C)C=O
InChIInChI=1S/C15H24O2/c1-3-4-5-6-9-15(12-17)10-7-8-14(15)13(2)11-16/h3-4,11-14H,5-10H2,1-2H3/b4-3+/t13-,14-,15+/m0/s1
InChIKeyLOXXBBQQUAPHOD-PGQSHUBFSA-N
MW236.35 g/mol
LogP3.55
Rot. Bonds7

About cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde

cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde (PubChem CID 135700159) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde
PubChem CID135700159
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde
SMILESC/C=C/CCC[C@]1(C=O)CCC[C@H]1[C@@H](C)C=O
InChIInChI=1S/C15H24O2/c1-3-4-5-6-9-15(12-17)10-7-8-14(15)13(2)11-16/h3-4,11-14H,5-10H2,1-2H3/b4-3+/t13-,14-,15+/m0/s1
InChIKeyLOXXBBQQUAPHOD-PGQSHUBFSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde?
The IUPAC name of cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde (CID 135700159) is cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde is C/C=C/CCC[C@]1(C=O)CCC[C@H]1[C@@H](C)C=O.
What is the InChIKey of cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde?
The InChIKey is LOXXBBQQUAPHOD-PGQSHUBFSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-6-9-15(12-17)10-7-8-14(15)13(2)11-16/h3-4,11-14H,5-10H2,1-2H3/b4-3+/t13-,14-,15+/m0/s1.
What are the key properties of cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde?
cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde has a molecular weight of 236.35 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-[(E)-hex-4-enyl]-2-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 135700159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).