5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde

C14H24O — CID 122463235

IUPAC5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde
SMILESCCC(C)(C)C1C(C)C2CC(C=O)C1C2
InChIInChI=1S/C14H24O/c1-5-14(3,4)13-9(2)10-6-11(8-15)12(13)7-10/h8-13H,5-7H2,1-4H3
InChIKeyQBRUPOUDHOWBOQ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.53
Rot. Bonds3

About 5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde

5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde (PubChem CID 122463235) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde
PubChem CID122463235
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde
SMILESCCC(C)(C)C1C(C)C2CC(C=O)C1C2
InChIInChI=1S/C14H24O/c1-5-14(3,4)13-9(2)10-6-11(8-15)12(13)7-10/h8-13H,5-7H2,1-4H3
InChIKeyQBRUPOUDHOWBOQ-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.53
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

6-methyl-5-[(2,5,6-trimethylcyclohex-3-en-1-yl)methyl]bicyclo[2.2.1]heptane-2-carbaldehyde
CID 87722061
trans-(1S,2R)-2-(3-ethylpentan-3-yl)cyclopropane-1-carbaldehyde
CID 125425586
2-methylbutan-2-yl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336244
(2S,6R)-bicyclo[2.2.1]heptane-2,6-dicarbaldehyde
CID 87172258
butane;5-[(2Z)-2-ethylidene-3,3,4,4-tetramethylpentyl]tetracyclo[6.2.1.02,7.03,6]undecane-9-carbaldehyde;propane
CID 143331387
2,3-dimethylcyclobutane-1-carbaldehyde
CID 54074602
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
CID 18336307
4-methyl-3-oxabicyclo[3.2.0]heptane-6-carbaldehyde
CID 86256624
(1S,5R)-6-methylbicyclo[3.1.1]heptane-3-carbaldehyde
CID 88935864
(1R,2R,3S,4S,6S,7R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbaldehyde
CID 130969396
cis-(1S,2S)-2-[(1S,2R)-2-ethylcyclohexyl]cyclopropane-1-carbaldehyde
CID 125425458
3-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-one
CID 123361541

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde?
The IUPAC name of 5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde (CID 122463235) is 5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde?
The canonical SMILES for 5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde is CCC(C)(C)C1C(C)C2CC(C=O)C1C2.
What is the InChIKey of 5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde?
The InChIKey is QBRUPOUDHOWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-5-14(3,4)13-9(2)10-6-11(8-15)12(13)7-10/h8-13H,5-7H2,1-4H3.
What are the key properties of 5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde?
5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde has a molecular weight of 208.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carbaldehyde is sourced from PubChem (CID 122463235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).