6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde

C14H20O — CID 24858674

IUPAC6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCC(C)=CCCC1=CC=C(C=O)C(C)C1
InChIInChI=1S/C14H20O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h5,7-8,10,12H,4,6,9H2,1-3H3
InChIKeyUQNKRJKKVNKJNB-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.82
Rot. Bonds4

About 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde

6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24858674) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24858674
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCC(C)=CCCC1=CC=C(C=O)C(C)C1
InChIInChI=1S/C14H20O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h5,7-8,10,12H,4,6,9H2,1-3H3
InChIKeyUQNKRJKKVNKJNB-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.82
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-(4-methylpent-3-enyl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde
CID 24858821
acetaldehyde;(3R,4R)-3,4-dimethyl-1-(4-methylpent-3-enyl)cyclohexene
CID 142081315
(4aS)-6-(4-methylpent-3-enyl)-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one
CID 118312408
5-(4-methylpent-3-enyl)-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 90326819
(2S)-1,2-dimethyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
CID 67458184
(4aS,8aR)-6-(4-methylpent-3-enyl)-1-nitroso-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 91058261
ethane;1-(4-methylpent-3-enyl)cyclohexene
CID 142984227
(5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one
CID 134971316
9-[(1S,6S)-6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-3-[(1R,6S)-6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 25317595
[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] formate
CID 175053565
(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
CID 169000974
methyl (1R,6S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylcyclohex-3-ene-1-carboxylate
CID 138726323

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde (CID 24858674) is 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde is CC(C)=CCCC1=CC=C(C=O)C(C)C1.
What is the InChIKey of 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is UQNKRJKKVNKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h5,7-8,10,12H,4,6,9H2,1-3H3.
What are the key properties of 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 204.31 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24858674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).