(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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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).