(1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde

C10H16O — CID 58619266

IUPAC(1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde
SMILESCCC1(C=O)C[C@H]2CC[C@H]2C1
InChIInChI=1S/C10H16O/c1-2-10(7-11)5-8-3-4-9(8)6-10/h7-9H,2-6H2,1H3/t8-,9+,10?
InChIKeyDROPVDOZRZTLOR-ULKQDVFKSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds2

About (1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde

(1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde (PubChem CID 58619266) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde.

Molecular Properties

Compound Name(1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde
PubChem CID58619266
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde
SMILESCCC1(C=O)C[C@H]2CC[C@H]2C1
InChIInChI=1S/C10H16O/c1-2-10(7-11)5-8-3-4-9(8)6-10/h7-9H,2-6H2,1H3/t8-,9+,10?
InChIKeyDROPVDOZRZTLOR-ULKQDVFKSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-fluorocyclobutane-1-carbaldehyde
CID 58564865
1,3-diethylcyclopentane-1-carbaldehyde
CID 126998053
2-[(1R,5S)-3-(aminomethyl)-3-bicyclo[3.2.0]heptanyl]acetic acid;(1R,5S)-3-ethenyl-3-ethylbicyclo[3.2.0]heptane;(1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde;[(1S,5R)-3-ethyl-3-bicyclo[3.2.0]heptanyl]methanamine;(1R,5S)-3-ethylidenebicyclo[3.2.0]heptane
CID 161207689
1-(chloromethyl)-3-ethylcyclohexane-1-carbaldehyde
CID 131189795
3-ethylbicyclo[3.2.0]heptane-3-carbonitrile
CID 21024484
2,6-dimethyl-4-propyloxane-4-carbaldehyde
CID 164664122
8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
CID 54499262
4-(4-ethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 15430928
1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde
CID 131143277
2-ethyl-2-methylcyclopropane-1-carbaldehyde
CID 54353190
1-(2-chloroethyl)-3-methylcyclohexane-1-carbaldehyde
CID 130704241
1-but-2-ynyl-3-methylcyclopentane-1-carbaldehyde
CID 130672813

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde?
The IUPAC name of (1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde (CID 58619266) is (1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde.
What is the SMILES notation for (1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde?
The canonical SMILES for (1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde is CCC1(C=O)C[C@H]2CC[C@H]2C1.
What is the InChIKey of (1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde?
The InChIKey is DROPVDOZRZTLOR-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H16O/c1-2-10(7-11)5-8-3-4-9(8)6-10/h7-9H,2-6H2,1H3/t8-,9+,10?.
What are the key properties of (1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde?
(1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde is sourced from PubChem (CID 58619266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).