(1S)-3-tert-butylcyclopentane-1-carbaldehyde

C10H18O — CID 176741692

IUPAC(1S)-3-tert-butylcyclopentane-1-carbaldehyde
SMILESCC(C)(C)C1CC[C@H](C=O)C1
InChIInChI=1S/C10H18O/c1-10(2,3)9-5-4-8(6-9)7-11/h7-9H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyCNKAEVGJPMGKFR-IENPIDJESA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds1

About (1S)-3-tert-butylcyclopentane-1-carbaldehyde

(1S)-3-tert-butylcyclopentane-1-carbaldehyde (PubChem CID 176741692) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S)-3-tert-butylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1S)-3-tert-butylcyclopentane-1-carbaldehyde
PubChem CID176741692
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S)-3-tert-butylcyclopentane-1-carbaldehyde
SMILESCC(C)(C)C1CC[C@H](C=O)C1
InChIInChI=1S/C10H18O/c1-10(2,3)9-5-4-8(6-9)7-11/h7-9H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyCNKAEVGJPMGKFR-IENPIDJESA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.65
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

1,3-ditert-butylcyclopentane;ethane
CID 161179598
(3S)-3-methylcyclopentane-1-carbaldehyde
CID 59953230
3-tert-butylsulfinylcyclopentane-1-carbaldehyde
CID 123190092
trans-(1R,3R)-3-tert-butylcyclopentane-1-carboxylic acid
CID 15315966
(Z)-3-(4-tert-butylcyclohexyl)-2-methylprop-2-enoic acid
CID 20611019
4-cyclopropylcyclohexane-1-carbaldehyde
CID 149055202
trans-(1R,3R)-3-(trifluoromethyl)cyclohexane-1-carbaldehyde
CID 97010124
cyclohexane-1,3-dicarbaldehyde
CID 23496622
6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 13039671
methyl (E)-3-(4-tert-butylcyclohexyl)prop-2-enoate
CID 104575626
3-(trifluoromethyl)cyclobutane-1-carbaldehyde
CID 131335536
trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde
CID 57088024

Frequently Asked Questions

What is the IUPAC name of (1S)-3-tert-butylcyclopentane-1-carbaldehyde?
The IUPAC name of (1S)-3-tert-butylcyclopentane-1-carbaldehyde (CID 176741692) is (1S)-3-tert-butylcyclopentane-1-carbaldehyde.
What is the SMILES notation for (1S)-3-tert-butylcyclopentane-1-carbaldehyde?
The canonical SMILES for (1S)-3-tert-butylcyclopentane-1-carbaldehyde is CC(C)(C)C1CC[C@H](C=O)C1.
What is the InChIKey of (1S)-3-tert-butylcyclopentane-1-carbaldehyde?
The InChIKey is CNKAEVGJPMGKFR-IENPIDJESA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,3)9-5-4-8(6-9)7-11/h7-9H,4-6H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (1S)-3-tert-butylcyclopentane-1-carbaldehyde?
(1S)-3-tert-butylcyclopentane-1-carbaldehyde has a molecular weight of 154.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-tert-butylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 176741692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).