2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde

C11H16O2 — CID 11008531

IUPAC2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde
SMILESO=CC[C@H]1C[C@@]1(O)C1=CCCCC1
InChIInChI=1S/C11H16O2/c12-7-6-10-8-11(10,13)9-4-2-1-3-5-9/h4,7,10,13H,1-3,5-6,8H2/t10-,11+/m0/s1
InChIKeyYKIIJSAFRCJJLW-WDEREUQCSA-N
MW180.25 g/mol
LogP1.83
Rot. Bonds3

About 2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde

2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde (PubChem CID 11008531) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde
PubChem CID11008531
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde
SMILESO=CC[C@H]1C[C@@]1(O)C1=CCCCC1
InChIInChI=1S/C11H16O2/c12-7-6-10-8-11(10,13)9-4-2-1-3-5-9/h4,7,10,13H,1-3,5-6,8H2/t10-,11+/m0/s1
InChIKeyYKIIJSAFRCJJLW-WDEREUQCSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663962
trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134931231
4-(cyclohexen-1-yl)-3-ethylpiperidin-4-ol
CID 106651647
4-(cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 106651685
1-(cycloocten-1-yl)-2-methylcyclohexan-1-ol
CID 106650767
1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid
CID 116659348
1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 106651160
4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
CID 106651235
1-(cyclohexen-1-yl)-3-ethylcyclobutane-1-carboxylic acid
CID 116659324
cis-(1R,2R)-1-(cyclohexen-1-yl)-2-prop-1-en-2-ylcyclohexan-1-ol
CID 101031350
1-(cyclohepten-1-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429787
3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol
CID 106651372

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde?
The IUPAC name of 2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde (CID 11008531) is 2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde.
What is the SMILES notation for 2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde?
The canonical SMILES for 2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde is O=CC[C@H]1C[C@@]1(O)C1=CCCCC1.
What is the InChIKey of 2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde?
The InChIKey is YKIIJSAFRCJJLW-WDEREUQCSA-N. The full InChI is InChI=1S/C11H16O2/c12-7-6-10-8-11(10,13)9-4-2-1-3-5-9/h4,7,10,13H,1-3,5-6,8H2/t10-,11+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde?
2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde has a molecular weight of 180.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde is sourced from PubChem (CID 11008531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).