3-tert-butylsulfinylcyclopentane-1-carbaldehyde

C10H18O2S — CID 123190092

IUPAC3-tert-butylsulfinylcyclopentane-1-carbaldehyde
SMILESCC(C)(C)S(=O)C1CCC(C=O)C1
InChIInChI=1S/C10H18O2S/c1-10(2,3)13(12)9-5-4-8(6-9)7-11/h7-9H,4-6H2,1-3H3
InChIKeyWJHMJBVRRWYDAY-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.90
Rot. Bonds2

About 3-tert-butylsulfinylcyclopentane-1-carbaldehyde

3-tert-butylsulfinylcyclopentane-1-carbaldehyde (PubChem CID 123190092) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-tert-butylsulfinylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name3-tert-butylsulfinylcyclopentane-1-carbaldehyde
PubChem CID123190092
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name3-tert-butylsulfinylcyclopentane-1-carbaldehyde
SMILESCC(C)(C)S(=O)C1CCC(C=O)C1
InChIInChI=1S/C10H18O2S/c1-10(2,3)13(12)9-5-4-8(6-9)7-11/h7-9H,4-6H2,1-3H3
InChIKeyWJHMJBVRRWYDAY-UHFFFAOYSA-N
XLogP1.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butylsulfinylcyclopentan-1-amine
CID 64722653
(1S)-3-tert-butylcyclopentane-1-carbaldehyde
CID 176741692
N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide
CID 89030418
cyclohexane-1,3-dicarbaldehyde
CID 23496622
tert-butyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 175169116
(3S)-3-methylcyclopentane-1-carbaldehyde
CID 59953230
trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde
CID 57088024
cyclooctane-1,4-dicarbaldehyde
CID 19884381
ethyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 172760968
3-iodocyclohexane-1-carbaldehyde
CID 133056563
6-[bis[(3-tert-butylsulfinylcyclopentyl)methyl]amino]hexan-1-ol
CID 123543672
tert-butyl 5-formyl-2-methylcycloheptane-1-carboxylate
CID 123198778

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfinylcyclopentane-1-carbaldehyde?
The IUPAC name of 3-tert-butylsulfinylcyclopentane-1-carbaldehyde (CID 123190092) is 3-tert-butylsulfinylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 3-tert-butylsulfinylcyclopentane-1-carbaldehyde?
The canonical SMILES for 3-tert-butylsulfinylcyclopentane-1-carbaldehyde is CC(C)(C)S(=O)C1CCC(C=O)C1.
What is the InChIKey of 3-tert-butylsulfinylcyclopentane-1-carbaldehyde?
The InChIKey is WJHMJBVRRWYDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-10(2,3)13(12)9-5-4-8(6-9)7-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-tert-butylsulfinylcyclopentane-1-carbaldehyde?
3-tert-butylsulfinylcyclopentane-1-carbaldehyde has a molecular weight of 202.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfinylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 123190092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).