2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde

C23H44O — CID 58833433

IUPAC2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde
SMILESCC1C(C=O)C(C)(C)C(C)(C)C(C)(C(C)(C)C(C)(C)C(C)C)C1C
InChIInChI=1S/C23H44O/c1-15(2)19(5,6)21(9,10)23(13)17(4)16(3)18(14-24)20(7,8)22(23,11)12/h14-18H,1-13H3
InChIKeyFRTSCAWZAUUZCZ-UHFFFAOYSA-N
MW336.60 g/mol
LogP6.85
Rot. Bonds4

About 2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde

2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde (PubChem CID 58833433) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is 2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde
PubChem CID58833433
Molecular FormulaC23H44O
Molecular Weight336.60 g/mol
Exact Mass336.34
IUPAC Name2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde
SMILESCC1C(C=O)C(C)(C)C(C)(C)C(C)(C(C)(C)C(C)(C)C(C)C)C1C
InChIInChI=1S/C23H44O/c1-15(2)19(5,6)21(9,10)23(13)17(4)16(3)18(14-24)20(7,8)22(23,11)12/h14-18H,1-13H3
InChIKeyFRTSCAWZAUUZCZ-UHFFFAOYSA-N
XLogP6.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde?
The IUPAC name of 2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde (CID 58833433) is 2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde is CC1C(C=O)C(C)(C)C(C)(C)C(C)(C(C)(C)C(C)(C)C(C)C)C1C.
What is the InChIKey of 2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde?
The InChIKey is FRTSCAWZAUUZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O/c1-15(2)19(5,6)21(9,10)23(13)17(4)16(3)18(14-24)20(7,8)22(23,11)12/h14-18H,1-13H3.
What are the key properties of 2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde?
2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde has a molecular weight of 336.60 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,6-heptamethyl-4-(2,3,3,4-tetramethylpentan-2-yl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 58833433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).