4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane

C32H64 — CID 123419032

IUPAC4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane
SMILESCCCCCCC1(C)CC(C)(C)CCC(C(CC)CC)C(C)(C(C)CC)C(C)C1C(C)C
InChIInChI=1S/C32H64/c1-13-17-18-19-21-31(11)23-30(9,10)22-20-28(27(15-3)16-4)32(12,25(7)14-2)26(8)29(31)24(5)6/h24-29H,13-23H2,1-12H3
InChIKeyMDBWHXASVJSFFE-UHFFFAOYSA-N
MW448.86 g/mol
LogP11.19
Rot. Bonds11

About 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane

4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane (PubChem CID 123419032) has the molecular formula C32H64 and a molecular weight of 448.86 g/mol. Its IUPAC name is 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane.

Molecular Properties

Compound Name4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane
PubChem CID123419032
Molecular FormulaC32H64
Molecular Weight448.86 g/mol
Exact Mass448.50
IUPAC Name4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane
SMILESCCCCCCC1(C)CC(C)(C)CCC(C(CC)CC)C(C)(C(C)CC)C(C)C1C(C)C
InChIInChI=1S/C32H64/c1-13-17-18-19-21-31(11)23-30(9,10)22-20-28(27(15-3)16-4)32(12,25(7)14-2)26(8)29(31)24(5)6/h24-29H,13-23H2,1-12H3
InChIKeyMDBWHXASVJSFFE-UHFFFAOYSA-N
XLogP11.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.86
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane 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

1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
1-methyl-2-propan-2-yl-1-propylcyclobutane
CID 123382647
1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane
CID 123986680
1-decyl-4-propan-2-ylcyclohexane-1-carbonitrile
CID 65424660
1-butan-2-yl-3-hexyl-1,2-dimethylcyclobutane
CID 123458132
4-heptyl-4-methyl-3-propan-2-ylpiperidine-2,6-dione
CID 79320763
1-methyl-2-(5-methylheptan-2-yl)-1-pentylcyclopropane
CID 123964295
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
1-dodecyl-3,3-dimethylcyclopentan-1-amine
CID 80705069
2-butan-2-yl-1-methyl-1-propylcyclobutane
CID 145223890

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane?
The IUPAC name of 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane (CID 123419032) is 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane.
What is the SMILES notation for 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane?
The canonical SMILES for 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane is CCCCCCC1(C)CC(C)(C)CCC(C(CC)CC)C(C)(C(C)CC)C(C)C1C(C)C.
What is the InChIKey of 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane?
The InChIKey is MDBWHXASVJSFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64/c1-13-17-18-19-21-31(11)23-30(9,10)22-20-28(27(15-3)16-4)32(12,25(7)14-2)26(8)29(31)24(5)6/h24-29H,13-23H2,1-12H3.
What are the key properties of 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane?
4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane has a molecular weight of 448.86 g/mol, XLogP of 11.19, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-hexyl-1,3,4,8,8-pentamethyl-5-pentan-3-yl-2-propan-2-ylcyclononane is sourced from PubChem (CID 123419032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).