4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde

C13H22O — CID 130743601

IUPAC4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde
SMILESCC(C)=CCC1(C=O)CCC(C)CC1
InChIInChI=1S/C13H22O/c1-11(2)4-7-13(10-14)8-5-12(3)6-9-13/h4,10,12H,5-9H2,1-3H3
InChIKeyRVZBMKZZNUPZNH-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.74
Rot. Bonds3

About 4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde

4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde (PubChem CID 130743601) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde
PubChem CID130743601
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde
SMILESCC(C)=CCC1(C=O)CCC(C)CC1
InChIInChI=1S/C13H22O/c1-11(2)4-7-13(10-14)8-5-12(3)6-9-13/h4,10,12H,5-9H2,1-3H3
InChIKeyRVZBMKZZNUPZNH-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 164659630
1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde
CID 130630803
3-(3-methylbut-2-enyl)oxane-3-carbaldehyde
CID 130640340
1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde
CID 131143277
2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde
CID 130026349
1-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-4-methylcyclohexane-1-carbaldehyde
CID 104554521
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexane-1-carbaldehyde
CID 113336149
1-but-2-ynyl-3-methylcyclopentane-1-carbaldehyde
CID 130672813
2-(1-amino-4-methylcyclohexyl)acetaldehyde
CID 167728630
1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane
CID 90888982
formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde
CID 87279246
4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 79858374

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde (CID 130743601) is 4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde is CC(C)=CCC1(C=O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde?
The InChIKey is RVZBMKZZNUPZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-11(2)4-7-13(10-14)8-5-12(3)6-9-13/h4,10,12H,5-9H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde?
4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde has a molecular weight of 194.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 130743601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).