4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde

C14H24O — CID 130647229

IUPAC4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde
SMILESCC(C)(C)C1CCC(C=O)(C2CC2)CC1
InChIInChI=1S/C14H24O/c1-13(2,3)11-6-8-14(10-15,9-7-11)12-4-5-12/h10-12H,4-9H2,1-3H3
InChIKeyNVRVEXNXHFKIKM-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.82
Rot. Bonds2

About 4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde

4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde (PubChem CID 130647229) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde
PubChem CID130647229
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde
SMILESCC(C)(C)C1CCC(C=O)(C2CC2)CC1
InChIInChI=1S/C14H24O/c1-13(2,3)11-6-8-14(10-15,9-7-11)12-4-5-12/h10-12H,4-9H2,1-3H3
InChIKeyNVRVEXNXHFKIKM-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.82
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

bicyclo[2.2.0]hexane-1-carbaldehyde
CID 534324
1-cyclopropyl-3-methylcyclopentane-1-carbaldehyde
CID 130680477
1-cyclobutyl-4-methylcyclohexane-1-carbaldehyde
CID 131027775
1-cyclopropylcyclopentane-1-carbaldehyde
CID 131143275
1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde
CID 130700511
4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 13249965
7-tert-butylspiro[3.5]nonane
CID 123908402
1-cyclohexylcyclohexane-1-carbaldehyde
CID 21479214
4-tert-butyl-1,1-dichlorocyclohexane
CID 10867528
4-tert-butyl-1-(4-ethylcyclohexyl)cyclohexan-1-amine
CID 64750147
4-tert-butyl-1-cyclopentylcyclohexan-1-amine
CID 43809413
4-tert-butyl-1-[formyl(methyl)amino]cycloheptane-1-carboxylic acid
CID 65094924

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde?
The IUPAC name of 4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde (CID 130647229) is 4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde?
The canonical SMILES for 4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde is CC(C)(C)C1CCC(C=O)(C2CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde?
The InChIKey is NVRVEXNXHFKIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-13(2,3)11-6-8-14(10-15,9-7-11)12-4-5-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde?
4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde has a molecular weight of 208.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 130647229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).