1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane

C28H51F — CID 130242969

IUPAC1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane
SMILESC=CC(CC(C)CC=C(C)C)C1C(C)C(C)C1C(C)(CC(C)CC)CC(F)CC
InChIInChI=1S/C28H51F/c1-11-20(6)17-28(10,18-25(29)13-3)27-23(9)22(8)26(27)24(12-2)16-21(7)15-14-19(4)5/h12,14,20-27H,2,11,13,15-18H2,1,3-10H3
InChIKeyULIRYQYRCKVXQW-UHFFFAOYSA-N
MW406.71 g/mol
LogP9.27
Rot. Bonds13

About 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane

1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane (PubChem CID 130242969) has the molecular formula C28H51F and a molecular weight of 406.71 g/mol. Its IUPAC name is 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane.

Molecular Properties

Compound Name1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane
PubChem CID130242969
Molecular FormulaC28H51F
Molecular Weight406.71 g/mol
Exact Mass406.40
IUPAC Name1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane
SMILESC=CC(CC(C)CC=C(C)C)C1C(C)C(C)C1C(C)(CC(C)CC)CC(F)CC
InChIInChI=1S/C28H51F/c1-11-20(6)17-28(10,18-25(29)13-3)27-23(9)22(8)26(27)24(12-2)16-21(7)15-14-19(4)5/h12,14,20-27H,2,11,13,15-18H2,1,3-10H3
InChIKeyULIRYQYRCKVXQW-UHFFFAOYSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.71
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane?
The IUPAC name of 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane (CID 130242969) is 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane.
What is the SMILES notation for 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane?
The canonical SMILES for 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane is C=CC(CC(C)CC=C(C)C)C1C(C)C(C)C1C(C)(CC(C)CC)CC(F)CC.
What is the InChIKey of 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane?
The InChIKey is ULIRYQYRCKVXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51F/c1-11-20(6)17-28(10,18-25(29)13-3)27-23(9)22(8)26(27)24(12-2)16-21(7)15-14-19(4)5/h12,14,20-27H,2,11,13,15-18H2,1,3-10H3.
What are the key properties of 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane?
1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane has a molecular weight of 406.71 g/mol, XLogP of 9.27, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,8-dimethylnona-1,7-dien-3-yl)-2-(3-fluoro-5,7-dimethylnonan-5-yl)-3,4-dimethylcyclobutane is sourced from PubChem (CID 130242969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).