1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde

C15H24O2 — CID 87185535

IUPAC1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde
SMILESCC(C)CCCC1=CC(C=O)C(C)(C=O)CC1
InChIInChI=1S/C15H24O2/c1-12(2)5-4-6-13-7-8-15(3,11-17)14(9-13)10-16/h9-12,14H,4-8H2,1-3H3
InChIKeyZZFIFIKHUWQACS-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.55
Rot. Bonds6

About 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde

1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde (PubChem CID 87185535) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde
PubChem CID87185535
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde
SMILESCC(C)CCCC1=CC(C=O)C(C)(C=O)CC1
InChIInChI=1S/C15H24O2/c1-12(2)5-4-6-13-7-8-15(3,11-17)14(9-13)10-16/h9-12,14H,4-8H2,1-3H3
InChIKeyZZFIFIKHUWQACS-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde?
The IUPAC name of 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde (CID 87185535) is 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde.
What is the SMILES notation for 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde?
The canonical SMILES for 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde is CC(C)CCCC1=CC(C=O)C(C)(C=O)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde?
The InChIKey is ZZFIFIKHUWQACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)5-4-6-13-7-8-15(3,11-17)14(9-13)10-16/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde?
1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde has a molecular weight of 236.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1,2-dicarbaldehyde is sourced from PubChem (CID 87185535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).