6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde

C18H30O — CID 102512466

IUPAC6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCCCCCC1=CC=C(C=O)C(C)(CCCCC)C1
InChIInChI=1S/C18H30O/c1-4-6-8-10-16-11-12-17(15-19)18(3,14-16)13-9-7-5-2/h11-12,15H,4-10,13-14H2,1-3H3
InChIKeyGTUGXAPQBSJGJW-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.61
Rot. Bonds9

About 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde

6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 102512466) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID102512466
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCCCCCC1=CC=C(C=O)C(C)(CCCCC)C1
InChIInChI=1S/C18H30O/c1-4-6-8-10-16-11-12-17(15-19)18(3,14-16)13-9-7-5-2/h11-12,15H,4-10,13-14H2,1-3H3
InChIKeyGTUGXAPQBSJGJW-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentylcyclopropene
CID 159067584
3-decyl-5,5-dimethylcyclohex-2-en-1-ol
CID 65177036
3-decyl-1,2-oxazole-5-carbaldehyde
CID 18372911
3-methyl-3-undecyloxolane-2,5-dione
CID 139886966
1-dodecylcyclopropene
CID 22621656
1-tridecylcyclopropene
CID 22621692
2-pentyl-1,3-thiazole-5-carbaldehyde
CID 139349379
4-pentylcyclohex-3-en-1-one
CID 15219552
2-hexyl-2,5,5-trimethylcyclopentan-1-one
CID 23346843
5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde
CID 23002510
6-methyl-4,6-bis(octylsulfanylmethyl)cyclohexa-1,3-dien-1-ol
CID 66617769
methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene
CID 143415322

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde (CID 102512466) is 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde is CCCCCC1=CC=C(C=O)C(C)(CCCCC)C1.
What is the InChIKey of 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is GTUGXAPQBSJGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-4-6-8-10-16-11-12-17(15-19)18(3,14-16)13-9-7-5-2/h11-12,15H,4-10,13-14H2,1-3H3.
What are the key properties of 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde?
6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 262.44 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 102512466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).