(2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal

C9H14O — CID 129362209

IUPAC(2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal
SMILESC[C@H](C=O)[C@H]1CC=CCC1
InChIInChI=1S/C9H14O/c1-8(7-10)9-5-3-2-4-6-9/h2-3,7-9H,4-6H2,1H3/t8-,9+/m1/s1
InChIKeyWHXRWZTVIOYFFP-BDAKNGLRSA-N
MW138.21 g/mol
LogP2.18
Rot. Bonds2

About (2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal

(2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal (PubChem CID 129362209) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal.

Molecular Properties

Compound Name(2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal
PubChem CID129362209
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal
SMILESC[C@H](C=O)[C@H]1CC=CCC1
InChIInChI=1S/C9H14O/c1-8(7-10)9-5-3-2-4-6-9/h2-3,7-9H,4-6H2,1H3/t8-,9+/m1/s1
InChIKeyWHXRWZTVIOYFFP-BDAKNGLRSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal?
The IUPAC name of (2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal (CID 129362209) is (2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal.
What is the SMILES notation for (2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal?
The canonical SMILES for (2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal is C[C@H](C=O)[C@H]1CC=CCC1.
What is the InChIKey of (2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal?
The InChIKey is WHXRWZTVIOYFFP-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14O/c1-8(7-10)9-5-3-2-4-6-9/h2-3,7-9H,4-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of (2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal?
(2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal has a molecular weight of 138.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal is sourced from PubChem (CID 129362209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).